99395-88-7

(S)-4-苯基-2-唑烷酮(99395-88-7)質(zhì)譜(MS)

產(chǎn)品名稱:(S)-4-苯基-2-唑烷酮

CAS:99395-88-7

分子式:C9H9NO2

分子量: 163.17

InChI:InChI=1S/C9H9NO2/c11-9-10-8(6-12-9)7-4-2-1-3-5-7/h1-5,8H,6H2,(H,10,11)/t8-/m1/s1

InChIKey: QDMNNMIOWVJVLY-MRVPVSSYSA-N

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

Mass

MS-IW-9552          
(S)-(+)-4-phenyl-2-oxazolidinone
C9H9NO2             (Mass of molecular ion:    163)

   Source Temperature: 150 °C
   Sample Temperature: 120 °C
   Direct, 75 eV

      15.0       2.6
      18.0       1.0
      27.0       2.6
      28.0       9.0
      29.0       1.1
      38.0       2.1
      39.0       8.8
      40.0       1.1
      41.0       4.4
      42.0       9.6
      43.0       1.1
      44.0       1.0
      50.0       8.3
      51.0      19.2
      52.0       8.6
      52.5       2.7
      58.0       1.3
      58.5       4.8
      62.0       2.0
      63.0       5.7
      64.0       1.9
      65.0       8.9
      66.5       1.2
      74.0       2.3
      75.0       1.9
      76.0       3.2
      77.0      22.0
      78.0      25.8
      79.0       2.6
      85.0       1.6
      86.0       5.5
      89.0       6.9
      90.0       5.9
      91.0      34.1
      92.0       3.7
     103.0       2.3
     104.0      98.0
     105.0     100.0
     106.0       8.2
     117.0       1.0
     118.0       2.9
     119.0       6.7
     120.0       1.1
     132.0       5.6
     133.0      89.3
     134.0       8.4
     162.0      15.4
     163.0      65.4
     164.0       7.8

400 MHz in CDCl3

¹H NMR	399.65 MHz
C₉ H₉ N O₂	0.041 g : 0.5 ml CDCl₃
(S)-(+)-4-phenyl-2-oxazolidinone

    Assign.     Shift(ppm)

      A             7.383
      B             7.35
      C             7.32
      D             6.74
      E             4.942
      F             4.699
      G             4.136

     Hz     ppm     Int.

   2960.94   7.409    159
   2959.11   7.405    262
   2957.52   7.401    138
   2954.47   7.393    213
   2952.64   7.389    754
   2950.81   7.384    502
   2946.53   7.373    431
   2945.19   7.370    889
   2940.19   7.357    227
   2938.60   7.353    436
   2937.01   7.349    379
   2934.33   7.343    136
   2931.76   7.336    533
   2928.10   7.327   1000
   2926.27   7.323    960
   2924.19   7.317    320
   2921.51   7.311    317
   2919.92   7.307    588
   2693.60   6.740    231
   2693.24   6.739    230
   1983.28   4.963    222
   1975.22   4.943    329
   1967.41   4.923    273
   1886.72   4.721    465
   1878.17   4.700    839
   1869.38   4.678    427
   1661.01   4.157    485
   1654.05   4.139    507
   1652.34   4.135    482
   1645.39   4.118    440

in CDCl3