4-CHLOROMETHYLBENZALDEHYDE; >95%DISCONTINUED 10/25/01(73291-09-5) ¹³C NMR

Product Name4-CHLOROMETHYLBENZALDEHYDE; >95%DISCONTINUED 10/25/01

CAS 73291-09-5

Molecular FormulaC8H7ClO

Molecular Weight154.59

InChIInChI=1S/C8H7ClO/c9-5-7-1-3-8(6-10)4-2-7/h1-4,6H,5H2

InChIKey FNIFQOISPAAFQF-UHFFFAOYSA-N

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

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Mass

MS-IW-4084          
p-(chloromethyl)benzaldehyde
C8H7ClO             (Mass of molecular ion:    154)

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

      27.0       1.0
      29.0       1.5
      36.0       1.0
      37.0       1.2
      38.0       3.4
      39.0      13.6
      40.0       1.6
      41.0       1.7
      45.0       2.8
      49.0       1.1
      50.0       6.0
      51.0      10.3
      52.0       1.8
      59.0       1.9
      61.0       2.1
      62.0       7.3
      63.0      22.3
      64.0       6.1
      65.0      11.6
      73.0       2.5
      74.0       1.8
      75.0       2.6
      76.0       1.1
      77.0       3.3
      78.0       1.0
      86.0       1.7
      87.0       1.8
      89.0      35.1
      90.0      22.7
      91.0      64.5
      92.0       5.0
      99.0       4.7
     101.0       1.7
     103.0       4.7
     104.0       5.0
     118.0       8.0
     119.0     100.0
     120.0       9.4
     124.0       1.1
     125.0      51.0
     126.0       4.5
     127.0      16.6
     128.0       1.3
     139.0      14.6
     140.0       1.4
     141.0       4.7
     153.0      77.0
     154.0      98.0
     155.0      33.2
     156.0      32.0
     157.0       2.8
     174.0       3.1
     176.0       2.0

400 MHz in CDCl3

¹H NMR	399.65 MHz
C₈ H₇ Cl O	0.035 g : 0.5 ml CDCl₃
p-(chloromethyl)benzaldehyde

    Assign.     Shift(ppm)

      A            10.017
      B             7.871
      C             7.552
      D             4.622

     Hz     ppm     Int.

   4003.60  10.018    606
   3152.01   7.887     69
   3150.33   7.883    398
   3148.35   7.878    149
   3143.77   7.867    163
   3141.94   7.862    457
   3140.26   7.858     84
   3022.61   7.564    349
   3022.16   7.563    417
   3020.63   7.559    133
   3020.17   7.558    119
   3016.05   7.547    117
   3015.59   7.546    139
   3014.22   7.543    360
   1847.23   4.623   1000

in CDCl3