615-18-9

2-氯苯并恶唑(615-18-9)红外图谱(IR1)

产品名称:2-氯苯并恶唑

CAS:615-18-9

分子式:C7H4ClNO

分子量: 153.57

InChI:InChI=1S/C7H4ClNO/c8-7-9-5-3-1-2-4-6(5)10-7/h1-4H

InChIKey: BBVQDWDBTWSGHQ-UHFFFAOYSA-N

Smiles:O1C2=CC=CC=C2N=C1Cl

¹HNMR

¹³CNMR

IR1

Mass

MS-IW-7350          
2-chlorobenzoxazole
C7H4ClNO            (Mass of molecular ion:    153)

   Source Temperature: 230 °C
   Sample Temperature: 150 °C
   Reservoir, 75 eV

      37.0       3.8
      38.0       6.7
      39.0       4.8
      47.0       1.1
      50.0       2.0
      51.0       2.7
      53.0       1.1
      61.0       2.3
      62.0       5.1
      62.5       1.8
      63.0      20.8
      64.0      27.7
      65.0       1.9
      76.5       1.3
      89.0       1.0
      90.0      13.9
      91.0       1.3
      92.0      10.2
     118.0       4.6
     125.0       8.0
     127.0       2.6
     153.0     100.0
     154.0       8.3
     155.0      33.2
     156.0       2.7

400 MHz in CDCl3

¹H NMR	399.65 MHz
C₇ H₄ Cl N O	0.05 ml : 0.5 ml CDCl₃
2-chlorobenzoxazole

    Assign.     Shift(ppm)

      A             7.643
      B             7.454
      C             7.34
      D             7.31

     Hz     ppm     Int.

   3064.21   7.668     39
   3063.11   7.665     48
   3059.69   7.656    326
   3059.08   7.655    300
   3056.52   7.648    302
   3055.79   7.647    255
   3053.59   7.641    320
   3053.10   7.640    311
   3050.42   7.633    354
   3049.80   7.632    338
   3046.02   7.622     81
   2988.89   7.479     48
   2988.40   7.478     41
   2984.74   7.469    290
   2984.13   7.467    266
   2981.20   7.460    381
   2979.00   7.455    253
   2977.91   7.452    279
   2975.46   7.446    393
   2974.73   7.444    361
   2971.31   7.435     78
   2970.46   7.433     69
   2936.40   7.348    189
   2932.13   7.337   1000
   2928.96   7.329    750
   2926.15   7.322    729
   2922.73   7.314    855
   2918.58   7.303    131

in CDCl3