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Back ChemicalBook Home>CAS DataBase List>291-21-4More Spectrum> 1,3,5-TRITHIANE(291-21-4) MS

291-21-4

1,3,5-TRITHIANE(291-21-4) MS

Product Name1,3,5-TRITHIANE

CAS291-21-4

Molecular FormulaC3H6S3

Molecular Weight138.27

InChIInChI=1S/C3H6S3/c1-4-2-6-3-5-1/h1-3H2

InChIKey LORRLQMLLQLPSJ-UHFFFAOYSA-N

SmilesS1CSCSC1

  • 1,3,5-TRITHIANE(291-21-4) MS
    Mass

    MS-NW-6848          
    1,3,5-trithiane
    C3H6S3              (Mass of molecular ion:    138)
    

       Source Temperature: 260 °C
       Sample Temperature: 200 °C
       Direct, 75 eV
    

          27.0       2.1
          32.0       1.3
          34.0       1.0
          44.0       3.8
          45.0      46.1
          46.0      70.3
          47.0      15.5
          48.0       3.7
          58.0       2.8
          59.0       9.2
          60.0      14.0
          61.0       6.7
          62.0       2.9
          64.0      17.6
          66.0       1.8
          73.0      14.5
          74.0       2.6
          76.0       2.3
          77.0       2.4
          78.0       3.5
          91.0      11.0
          92.0      31.0
          93.0       3.0
          94.0       3.1
         105.0       2.5
         110.0       5.2
         123.0       1.4
         138.0     100.0
         139.0       6.2
         140.0      14.2
    

400 MHz in DMSO-d6

  • 1,3,5-TRITHIANE(291-21-4) MS

    1H NMR 399.65 MHz
    C3 H6 S3 0.038 g : 0.5 ml DMSO-d6
    1,3,5-trithiane
    ChemicalStructure
        Assign.     Shift(ppm)
    A 4.278

         Hz     ppm     Int.
    

       1709.72   4.279   1000
    

in DMSO-d6

  • 1,3,5-TRITHIANE(291-21-4) MS

KBr disc

  • 1,3,5-TRITHIANE(291-21-4) MS

nujol mull

  • 1,3,5-TRITHIANE(291-21-4) MS

  • 1,3,5-TRITHIANE(291-21-4) MS

1,3,5-TRITHIANE(291-21-4) MS Atlas of Related Products

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