103-37-7

丁酸芐酯(103-37-7)質(zhì)譜(MS)

產(chǎn)品名稱:丁酸芐酯

CAS:103-37-7

分子式:C11H14O2

分子量: 178.23

InChI:InChI=1S/C11H14O2/c1-2-6-11(12)13-9-10-7-4-3-5-8-10/h3-5,7-8H,2,6,9H2,1H3

InChIKey: VONGZNXBKCOUHB-UHFFFAOYSA-N

Smiles:C(OCC1=CC=CC=C1)(=O)CCC

Mass

MS-NW-8358          
benzyl butyrate
C11H14O2            (Mass of molecular ion:    178)

   Source Temperature: 260 °C
   Sample Temperature: 140 °C
   Reservoir, 75 eV

      27.0       6.1
      28.0       1.2
      29.0       1.0
      39.0       7.1
      41.0       7.5
      42.0       1.6
      43.0      32.1
      44.0       1.2
      50.0       1.6
      51.0       5.1
      52.0       1.6
      55.0       1.4
      63.0       2.8
      65.0      11.9
      71.0      31.0
      72.0       1.4
      77.0       7.2
      78.0       2.1
      79.0      11.8
      80.0       1.1
      89.0       5.4
      90.0      17.4
      91.0      88.7
      92.0       7.8
     105.0       2.4
     107.0       8.6
     108.0     100.0
     109.0       7.8
     178.0      21.7
     179.0       2.7

90 MHz in CDCl3

¹H NMR	89.56 MHz
C₁₁ H₁₄ O₂	0.04 ml : 0.5 ml CDCl₃
benzyl butyrate

    Assign.     Shift(ppm)

      A          7.50 to 7.09
      B             5.105
      C             2.309
      D             1.66
      E             0.94

     Hz     ppm     Int.

    656.19   7.327   1000
    457.19   5.105    491
    216.13   2.414     61
    215.13   2.403     65
    208.13   2.324    141
    201.38   2.249    118
    200.69   2.241    113
    160.94   1.798     36
    160.13   1.788     47
    154.06   1.721     36
    153.13   1.710    100
    152.13   1.699     53
    146.06   1.631     73
    145.31   1.623     66
    144.88   1.618     83
    138.19   1.543     61
     91.44   1.021     94
     90.75   1.014    185
     83.81   0.936    390
     83.19   0.929    197
     77.00   0.860     66
     76.19   0.851    107
     75.19   0.840     51

in CDCl3