90719-32-7

(S)-4-芐基-2-唑烷酮(90719-32-7)質(zhì)譜(MS)

產(chǎn)品名稱:(S)-4-芐基-2-唑烷酮

CAS:90719-32-7

分子式:C10H11NO2

分子量: 177.2

InChI:InChI=1S/C10H11NO2/c12-10-11-9(7-13-10)6-8-4-2-1-3-5-8/h1-5,9H,6-7H2,(H,11,12)/t9-/m0/s1

InChIKey: OJOFMLDBXPDXLQ-VIFPVBQESA-N

Smiles:O1C[C@H](CC2=CC=CC=C2)NC1=O

Mass

MS-IW-8164          
(S)-(-)-4-benzyl-2-oxazolidinone
C10H11NO2           (Mass of molecular ion:    177)

   Source Temperature: 150 °C
   Sample Temperature: 110 °C
   Direct, 75 eV

      15.0       1.6
      28.0       1.4
      39.0       2.5
      41.0       1.1
      42.0      26.2
      43.0       1.0
      51.0       2.6
      58.0       4.4
      63.0       1.7
      65.0       7.4
      77.0       2.2
      85.0       4.8
      86.0      81.8
      87.0       3.3
      89.0       1.6
      91.0      40.7
      92.0     100.0
      93.0       8.0
     177.0       9.7
     178.0       5.3

400 MHz in CDCl3

¹H NMR	399.65 MHz
C₁₀ H₁₁ N O₂	0.041 g : 0.5 ml CDCl₃
(S)-(-)-4-benzyl-2-oxazolidinone

    Assign.     Shift(ppm)

      A             7.320
      B             7.262
      C             7.172
      D             6.34
      E             4.388
      F     *1      4.13
      G     *1      4.09
      J     *2      2.909
      K     *2      2.835

     Hz     ppm     Int.

   2935.91   7.347    245
   2934.57   7.343    437
   2932.98   7.339    201
   2931.52   7.336     98
   2929.57   7.331    274
   2927.73   7.326    997
   2926.15   7.322    622
   2921.63   7.311    392
   2920.29   7.308    902
   2919.56   7.306    661
   2918.09   7.302    198
   2909.18   7.280    266
   2907.71   7.276    501
   2906.37   7.273    324
   2902.22   7.262    273
   2900.39   7.258    549
   2897.83   7.251    145
   2894.41   7.243    114
   2893.07   7.240    180
   2891.72   7.236    106
   2871.58   7.186    771
   2870.12   7.182   1000
   2867.92   7.177    270
   2864.75   7.169    391
   2863.40   7.165    736
   2862.92   7.164    703
   2862.06   7.162    588
   2859.86   7.156    114
   2536.38   6.347    260
   1765.26   4.418     68
   1762.21   4.410    317
   1760.01   4.404     94
   1753.91   4.389    849
   1747.92   4.374    105
   1746.09   4.370    399
   1742.80   4.361     88
   1655.64   4.143    482
   1653.08   4.137     58
   1650.02   4.129    737
   1647.34   4.122    202
   1644.04   4.114    399
   1643.68   4.113    399
   1641.85   4.109    613
   1639.65   4.103    338
   1638.79   4.101    405
   1633.30   4.087    267
   1632.20   4.085    337
   1631.23   4.082    256
   1627.69   4.073    100
   1626.59   4.071    171
   1625.49   4.068    196
   1624.51   4.065    124
   1619.75   4.053     67
   1618.90   4.051     68
   1174.68   2.940    207
   1168.09   2.923    202
   1161.01   2.906    355
   1154.42   2.889    339
   1140.01   2.853    435
   1133.42   2.837    442

in CDCl3