22625-57-6

5-氯甲基-2-氧唑啉酮(22625-57-6)紅外圖譜(IR1)

產(chǎn)品名稱:5-氯甲基-2-氧唑啉酮

CAS:22625-57-6

分子式:C4H6ClNO2

分子量: 135.55

InChI:InChI=1S/C4H6ClNO2/c5-1-3-2-6-4(7)8-3/h3H,1-2H2,(H,6,7)

InChIKey: FNOZCEQRXKPZEZ-UHFFFAOYSA-N

Smiles:O1C(CCl)CNC1=O

Mass

MS-IW-0204          
5-chloromethyl-2-oxazolidinone
C4H6ClNO2           (Mass of molecular ion:    135)

   Source Temperature: 250 °C
   Sample Temperature: 160 °C
   Reservoir, 75 eV

      15.0       3.3
      18.0       1.3
      27.0       3.9
      28.0      12.7
      29.0       6.8
      30.0       5.6
      42.0      18.2
      43.0       5.2
      44.0       1.1
      49.0       1.4
      54.0       1.0
      56.0       2.1
      58.0       5.8
      79.0       2.9
      86.0     100.0
      87.0       3.9
     135.0      12.4
     136.0       2.1
     137.0       4.1

400 MHz in DMSO-d6

¹H NMR	399.65 MHz
C₄ H₆ Cl N O₂	0.035 g : 0.5 ml DMSO-d₆
5-chloromethyl-2-oxazolidinone

    Assign.     Shift(ppm)

      A             7.61
      B             4.840
      C     *1      3.877
      D     *1      3.812
      E     *2      3.588
      F     *2      3.256

     Hz     ppm     Int.

   3042.72   7.614    263
   1946.66   4.871    170
   1942.63   4.861    214
   1941.77   4.859    255
   1940.55   4.856    230
   1937.62   4.849    345
   1936.52   4.846    295
   1935.67   4.844    294
   1933.59   4.839    256
   1932.74   4.837    312
   1931.64   4.834    362
   1928.71   4.826    230
   1927.49   4.823    244
   1926.64   4.821    255
   1922.61   4.811    187
   1559.81   3.903    419
   1555.79   3.893    415
   1547.85   3.874    899
   1543.95   3.864    864
   1529.79   3.828   1000
   1524.90   3.816    967
   1517.82   3.798    478
   1513.06   3.786    463
   1443.73   3.613    379
   1443.12   3.611    402
   1434.69   3.590    800
   1434.08   3.589    838
   1425.54   3.567    413
   1424.93   3.566    438
   1309.08   3.276    391
   1308.11   3.274    424
   1302.86   3.261    387
   1302.00   3.258    436
   1299.93   3.253    376
   1299.07   3.251    374
   1293.82   3.238    347
   1292.85   3.235    364

in DMSO-d6