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Back ChemicalBook Home>CAS DataBase List>56187-09-8More Spectrum> HEXACYCLEN TRISULFATE(56187-09-8) IR1

56187-09-8

HEXACYCLEN TRISULFATE(56187-09-8) IR1

Molecular FormulaC12H36N6O12S3

Molecular Weight552.64

InChIInChI=1S/C12H30N6.3H2O4S/c1-2-14-5-6-16-9-10-18-12-11-17-8-7-15-4-3-13-1;3*1-5(2,3)4/h13-18H,1-12H2;3*(H2,1,2,3,4)

InChIKey UXVDKNLOZWKLJC-UHFFFAOYSA-N

SmilesS(=O)(=O)(O)O.S(=O)(=O)(O)O.S(=O)(=O)(O)O.C1NCCNCCNCCNCCNCCNC1

  • HEXACYCLEN TRISULFATE(56187-09-8) IR1
    Mass

    MS-NW-6544          
    1,4,7,10,13,16-hexaazacyclooctadecane trisulfate
    C12H30N6 3H2O4S     (Mass of molecular ion:    258)
    

       Source Temperature: 230 °C
       Sample Temperature: 270 °C
       Direct, 75 eV
    

          20.0       1.2
          24.0       1.1
          25.0       1.7
          26.0      11.6
          27.0      17.4
          28.0      35.7
          29.0       8.7
          30.0      29.9
          31.0       1.1
          32.0      39.1
          33.0      26.4
          34.0      75.2
          35.0       2.1
          36.0       4.3
          37.0       1.0
          38.0       3.7
          39.0       6.6
          40.0      11.3
          41.0      19.1
          42.0      27.9
          43.0      11.7
          44.0      26.6
          45.0      10.0
          46.0       3.4
          47.0       1.3
          48.0      51.7
          50.0       2.7
          51.0       5.7
          52.0      13.5
          53.0      12.7
          54.0      10.3
          55.0      16.2
          56.0      40.0
          57.0       8.3
          58.0      10.4
          59.0      19.0
          60.0       9.1
          61.0       1.6
          62.0       1.0
          64.0     100.0
          65.0       3.6
          66.0       5.9
          67.0       5.4
          68.0      17.5
          69.0       7.0
          70.0      10.8
          71.0       5.4
          72.0       9.8
          73.0       7.4
          74.0       1.9
          75.0       1.5
          76.0      15.9
          77.0       2.2
          78.0       3.1
          79.0       7.7
          80.0      13.1
          81.0       8.1
          82.0       6.7
          83.0       8.8
          84.0      13.0
          85.0      12.8
          86.0       4.7
          87.0       7.4
          88.0       1.4
          91.0       1.3
          92.0       1.9
          93.0       6.3
          94.0       5.4
          95.0       6.2
          96.0       3.2
          97.0       6.7
          98.0       3.4
          99.0      15.0
         100.0       5.9
         101.0       4.9
         102.0      21.0
         103.0       7.1
         104.0       2.9
         105.0       3.2
         106.0       7.6
         107.0       9.5
         108.0       4.6
         109.0       4.4
         110.0       7.4
         111.0      11.8
         112.0      11.1
         113.0       4.1
         114.0       1.1
         115.0       4.5
         116.0       2.9
         117.0       1.5
         118.0       2.0
         119.0       5.2
         120.0       4.3
         121.0       2.8
         122.0       4.1
         123.0       1.7
         124.0       5.7
         125.0       3.7
         126.0       6.1
         127.0      14.3
         128.0      22.6
         129.0      10.7
         130.0       3.8
         131.0       2.1
         132.0       3.9
         133.0       4.3
         134.0       6.2
         135.0       6.4
         136.0       6.1
         137.0       3.8
         138.0       5.0
         139.0       2.8
         140.0       1.2
         141.0       1.3
         142.0       1.9
         143.0       1.2
         144.0       1.1
         145.0       1.5
         146.0       1.8
         147.0       2.1
         148.0       1.4
         149.0       4.1
         150.0       1.9
         151.0       5.6
         152.0       3.4
         153.0       5.0
         154.0       2.2
         155.0       1.3
         158.0       2.8
         159.0      11.9
         160.0      25.7
         161.0      10.7
         162.0      10.1
         163.0       2.3
         164.0       2.0
         165.0       1.3
         166.0       1.5
         167.0       2.9
         168.0       1.7
         169.0       1.8
         170.0       2.3
         171.0       2.5
         172.0       1.0
         173.0       1.6
         174.0       1.2
         175.0       1.3
         176.0       1.8
         177.0       1.9
         178.0       1.9
         179.0       1.7
         185.0       1.8
         186.0       1.1
         187.0       1.9
         188.0       1.8
         189.0       1.0
         190.0       1.5
         192.0       1.3
         194.0       1.5
         196.0       1.5
         197.0       1.1
         202.0       1.4
         203.0       1.6
         209.0       1.1
         210.0       1.2
         211.0       1.3
         212.0       1.5
         213.0       1.1
         214.0       2.0
         227.0       1.0
         228.0       1.3
         230.0       5.8
         231.0       1.3
         234.0       1.0
         239.0       1.0
         242.0       1.0
    

KBr disc

  • HEXACYCLEN TRISULFATE(56187-09-8) IR1

nujol mull

  • HEXACYCLEN TRISULFATE(56187-09-8) IR1

HEXACYCLEN TRISULFATE(56187-09-8) IR1 Atlas of Related Products

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