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2451-01-6

萜品(水合结晶)(2451-01-6)红外图谱(IR2)

产品名称:萜品(水合结晶)

CAS:2451-01-6

分子式:C10H22O3

分子量: 190.28

InChI:InChI=1S/C10H20O2.H2O/c1-9(2,11)8-4-6-10(3,12)7-5-8;/h8,11-12H,4-7H2,1-3H3;1H2

InChIKey: JGKJMBOJWVAMIJ-UHFFFAOYSA-N

Smiles:C(O)(C)(C)C1CCC(O)(C)CC1.O

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    Mass

    MS-NW-9138          
    cis-1,8-terpin monohydrate
    C10H20O2 H2O        (Mass of molecular ion:    172)
    

       Source Temperature: 140 °C
       Sample Temperature:  80 °C
       Direct, 75 eV
    

          17.0       1.8
          18.0      11.2
          27.0       1.9
          29.0       2.9
          31.0       3.2
          39.0       2.0
          41.0       6.3
          43.0      37.2
          45.0       1.5
          53.0       1.5
          54.0       7.0
          55.0      13.6
          56.0       1.7
          57.0       1.9
          58.0       7.4
          59.0      51.9
          60.0       1.7
          66.0       1.0
          67.0      11.6
          68.0      15.1
          69.0       9.6
          71.0      15.6
          72.0       1.0
          77.0      15.4
          79.0       1.8
          81.0     100.0
          82.0       7.1
          83.0       4.6
          84.0       8.7
          85.0       1.3
          93.0       5.0
          94.0       1.8
          95.0      11.6
          96.0      99.2
          97.0      10.1
         107.0       1.4
         108.0       7.3
         111.0       4.7
         121.0       3.6
         125.0       3.1
         126.0       3.8
         136.0       4.3
         137.0       4.6
         139.0      20.0
         140.0       2.0
         154.0       5.4
         155.0       1.3
    

in DMSO-d6

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in DMSO-d6

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KBr disc

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nujol mull

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4880 A,200 M,powder

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