938-95-4

(4-CHLOROMETHYLPHENYL)ACETIC ACID(938-95-4) MS

Product Name(4-CHLOROMETHYLPHENYL)ACETIC ACID

CAS 938-95-4

Molecular FormulaC9H9ClO2

Molecular Weight184.62

InChIInChI=1S/C9H9ClO2/c1-6(9(11)12)7-2-4-8(10)5-3-7/h2-6H,1H3,(H,11,12)

InChIKey YOZILQVNIWNPFP-UHFFFAOYSA-N

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

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(4-CHLOROMETHYLPHENYL)ACETIC ACID(938-95-4) MS
Mass

MS-IW-1086          
DL-p-chloro-alpha-methylphenylacetic acid
C9H9ClO2            (Mass of molecular ion:    184)

   Source Temperature: 240 °C
   Sample Temperature: 160 °C
   Reservoir, 75 eV

      18.0       1.3
      27.0       1.3
      39.0       1.0
      50.0       1.8
      51.0       5.3
      63.0       1.3
      74.0       1.1
      75.0       3.0
      77.0      15.0
      78.0       2.2
     101.0       1.7
     102.0       3.1
     103.0      44.2
     104.0       6.2
     105.0       3.9
     125.0       1.6
     138.0       1.7
     139.0     100.0
     140.0       9.5
     141.0      32.6
     142.0       2.8
     149.0       1.1
     184.0      27.5
     185.0       2.8
     186.0       9.1

90 MHz in CDCl3

(4-CHLOROMETHYLPHENYL)ACETIC ACID(938-95-4) MS

¹H NMR	89.56 MHz
C₉ H₉ Cl O₂	0.035 g : 0.5 ml CDCl₃
DL-p-chloro-alpha-methylphenylacetic acid

    Assign.     Shift(ppm)

      A            10.9
      B             7.27
      C             3.707
      D             1.492
     
     J(C,D)=7.2HZ

     Hz     ppm     Int.

    976.77  10.907     35
    660.69   7.378     38
    659.67   7.366     34
    659.33   7.362     36
    656.93   7.336     45
    654.71   7.311     74
    651.29   7.273   1000
    647.71   7.233     60
    647.11   7.226     56
    646.51   7.219     44
    646.00   7.214     38
    645.40   7.207     39
    644.89   7.201     40
    642.66   7.176     32
    641.98   7.169     36
    641.64   7.165     35
    335.64   3.748     98
    328.47   3.668    108
    321.29   3.588     40
    137.06   1.531    497
    129.88   1.451    463

in CDCl3