4-(Chloromethyl)benzoyl chloride(876-08-4) ¹H NMR

Product Name4-(Chloromethyl)benzoyl chloride

CAS 876-08-4

Molecular FormulaC8H6Cl2O

Molecular Weight189.04

InChIInChI=1S/C8H6Cl2O/c9-5-6-1-3-7(4-2-6)8(10)11/h1-4H,5H2

InChIKey RCOVTJVRTZGSBP-UHFFFAOYSA-N

SmilesC(Cl)(=O)C1=CC=C(CCl)C=C1

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4-(Chloromethyl)benzoyl chloride(876-08-4) <sup>1</sup>H NMR
Mass

MS-IW-4059          
p-(chloromethyl)benzoyl chloride
C8H6Cl2O            (Mass of molecular ion:    188)

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

      36.0       1.2
      38.0       1.3
      39.0       3.5
      44.0       1.6
      44.5       2.2
      45.0       3.1
      50.0       2.2
      51.0       2.2
      59.0       6.1
      62.0       4.8
      63.0       8.7
      64.0       2.1
      73.0       1.1
      75.0       1.1
      89.0      16.4
      90.0       9.5
      99.0       3.1
     101.0       1.0
     118.0       4.5
     125.0      29.9
     126.0       2.4
     127.0       9.7
     153.0     100.0
     154.0       9.0
     155.0      32.9
     156.0       2.9
     188.0       3.1
     190.0       2.0

400 MHz in DMSO-d6

4-(Chloromethyl)benzoyl chloride(876-08-4) <sup>1</sup>H NMR

¹H NMR	399.65 MHz
C₈ H₆ Cl₂ O	0.039 g : 0.5 ml DMSO-d₆
p-(chloromethyl)benzoyl chloride

    Assign.     Shift(ppm)

      A             7.980
      B             7.578
      C             4.844

     Hz     ppm     Int.

   3195.68   7.997     80
   3193.85   7.992    459
   3192.14   7.988    188
   3187.38   7.976    176
   3185.55   7.971    547
   3032.84   7.589    459
   3026.12   7.572    150
   3024.29   7.568    443
   1935.91   4.845   1000

KBr disc