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Back ChemicalBook Home>CAS DataBase List>3068-00-6More Spectrum> 1,2,4-Butanetriol(3068-00-6) IR1

3068-00-6

1,2,4-Butanetriol(3068-00-6) IR1

Product Name1,2,4-Butanetriol

CAS3068-00-6

Molecular FormulaC4H10O3

Molecular Weight106.12

InChIInChI=1S/C4H10O3/c5-2-1-4(7)3-6/h4-7H,1-3H2

InChIKey ARXKVVRQIIOZGF-UHFFFAOYSA-N

SmilesC(O)C(O)CCO

  • 1,2,4-Butanetriol(3068-00-6) IR1
    Mass

    MS-NW-4353          
    1,2,4-butanetriol
    C4H10O3             (Mass of molecular ion:    106)
    

       Source Temperature: 230 °C
       Sample Temperature: 180 °C
       Reservoir, 75 eV
    

          14.0       1.0
          15.0       7.8
          18.0       4.6
          19.0      36.3
          26.0       3.0
          27.0      20.4
          28.0      10.0
          29.0      33.4
          30.0       3.2
          31.0      72.7
          32.0       6.5
          33.0       1.4
          38.0       1.0
          39.0       7.0
          40.0       2.7
          41.0      10.2
          42.0       6.5
          43.0      27.7
          44.0       9.2
          45.0      83.4
          46.0       3.2
          47.0       5.1
          49.0       3.6
          55.0       4.5
          56.0       2.4
          57.0      66.2
          58.0      22.7
          59.0       2.3
          60.0       5.6
          61.0      10.7
          69.0       1.9
          70.0       4.6
          71.0       1.6
          73.0       1.9
          74.0       1.2
          75.0     100.0
          76.0       4.8
          88.0       1.2
         101.0       1.2
         131.0       2.1
    

400MHZ in DMSO-d6

  • 1,2,4-Butanetriol(3068-00-6) IR1

liquid film

  • 1,2,4-Butanetriol(3068-00-6) IR1

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