42739-26-4

山梨酸乙烯酯(含对羟基苯甲醚阻聚剂)(42739-26-4)Raman光谱

产品名称:山梨酸乙烯酯(含对羟基苯甲醚阻聚剂)

CAS:42739-26-4

分子式:C8H10O2

分子量: 138.16

InChI:InChI=1S/C8H10O2/c1-3-5-6-7-8(9)10-4-2/h3-7H,2H2,1H3/b5-3+,7-6+

InChIKey: ZHIUCPNDVATEDB-TWTPFVCWSA-N

Smiles:C(OC=C)(=O)/C=C/C=C/C

Mass

MS-NW-1021          
vinyl trans,trans-2,4-hexadienoate
C8H10O2             (Mass of molecular ion:    138)

   Source Temperature: 260 °C
   Sample Temperature: 130 °C
   Reservoir, 75 eV

      15.0       2.8
      18.0       1.2
      26.0       1.4
      27.0       5.6
      38.0       2.1
      39.0      19.8
      40.0       4.0
      41.0      39.8
      42.0       2.3
      43.0       1.4
      50.0       1.1
      51.0       2.3
      52.0       1.4
      55.0       1.6
      63.0       1.6
      65.0      10.6
      66.0       4.7
      67.0      57.8
      68.0       3.5
      95.0     100.0
      96.0       6.4
     138.0       2.5

90 MHz in CDCl3

¹H NMR	89.56 MHz
C₈ H₁₀ O₂	0.04 ml : 0.5 ml CDCl₃
vinyl trans,trans-2,4-hexadienoate

    Assign.     Shift(ppm)

      A             7.368
      B             7.36
      C          6.33 to 6.11
      D             5.796
      E             4.916
      F             4.576
      G             1.876

     Hz     ppm     Int.

    670.06   7.482    575
    663.69   7.411    634
    656.06   7.326    703
    651.25   7.272    192
    649.75   7.255    785
    647.25   7.228    203
    560.50   6.259    751
    556.31   6.212    337
    554.19   6.188    342
    552.75   6.172    716
    525.63   5.870    492
    511.00   5.706    428
    510.31   5.698    298
    447.69   4.999    633
    446.19   4.983    665
    433.69   4.843    540
    432.19   4.826    625
    413.75   4.620    617
    412.19   4.603    616
    407.38   4.549    627
    405.88   4.532    568
    170.63   1.906   1000
    169.44   1.892    552
    165.88   1.853    935
    165.44   1.848    957

in CDCl3