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Back ChemicalBook Home>CAS DataBase List>107-02-8More Spectrum> Acrolein(107-02-8) IR1

Acrolein(107-02-8) IR1

Product NameAcrolein

CAS107-02-8

Molecular FormulaC3H4O

Molecular Weight56.06

InChIInChI=1S/C3H4O/c1-2-3-4/h2-3H,1H2

InChIKey HGINCPLSRVDWNT-UHFFFAOYSA-N

SmilesC(=O)C=C


  • Mass

    MS-IW-3682          
    acrylaldehyde
    C3H4O               (Mass of molecular ion:     56)
    

       Source Temperature: 210 °C
       Sample Temperature: 160 °C
       Reservoir, 75 eV
    

          13.0       1.2
          14.0       1.7
          15.0       1.0
          17.0       1.2
          18.0       5.6
          24.0       2.8
          25.0      10.4
          26.0      66.1
          27.0      85.8
          28.0      68.2
          29.0      55.1
          30.0       1.7
          36.0       2.8
          37.0       7.8
          38.0       6.6
          39.0       5.6
          41.0       1.2
          42.0       1.0
          43.0       2.5
          44.0       3.4
          52.0       2.3
          53.0       7.9
          54.0       1.7
          55.0      86.7
          56.0     100.0
          57.0       5.3
          83.0       1.8
    

400 MHz in CDCl3


  • 1H NMR 399.65 MHz
    C3 H4 O 0.05 ml : 0.5 ml CDCl3
    acrylaldehyde
    ChemicalStructure
        Assign.     Shift(ppm)
    A 9.586 B 6.522 C 6.37 D 6.35

         Hz     ppm     Int.
    

       3835.14   9.597    485
       3833.47   9.593    307
       3832.24   9.589    307
       3830.41   9.585    310
       3828.74   9.581    316
       3827.51   9.578    541
       2612.92   6.539    395
       2609.86   6.531    261
       2608.64   6.528    270
       2606.35   6.522    290
       2604.52   6.518    334
       2602.08   6.511    577
       2589.11   6.479     38
       2567.14   6.424    124
       2560.88   6.408     53
       2549.90   6.381    498
       2543.64   6.365    535
       2542.72   6.363    545
       2541.50   6.360    696
       2539.98   6.356    618
       2537.08   6.349   1000
       2531.43   6.335     46
       2529.14   6.329     31
       2525.48   6.320    106
       2524.11   6.316     52
       2522.74   6.313     53
    

in CDCl3



liquid film (STABILIZED WITH HYDROQUINONE)



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