4-Chlorophenylacetic acid(1878-66-6) Raman
Product Name4-Chlorophenylacetic acid
CAS1878-66-6
Molecular FormulaC8H7ClO2
Molecular Weight170.59
InChIInChI=1S/C8H7ClO2/c9-7-3-1-6(2-4-7)5-8(10)11/h1-4H,5H2,(H,10,11)
InChIKey CDPKJZJVTHSESZ-UHFFFAOYSA-N
SmilesC1(CC(O)=O)=CC=C(Cl)C=C1
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MassMS-NW-4721 (p-chlorophenyl)acetic acid C8H7ClO2 (Mass of molecular ion: 170)
Source Temperature: 200 °C Sample Temperature: 180 °C Reservoir, 75 eV
37.0 1.2 38.0 1.9 39.0 4.8 43.0 1.2 44.0 1.1 45.0 2.1 50.0 3.4 51.0 3.3 61.0 1.7 62.0 4.0 62.5 1.2 63.0 9.7 64.0 1.7 65.0 1.8 73.0 2.8 74.0 1.2 75.0 1.8 77.0 2.7 86.0 1.3 87.0 1.3 89.0 22.6 90.0 5.8 91.0 14.4 92.0 1.2 99.0 4.5 101.0 1.4 124.0 5.7 125.0 100.0 126.0 9.7 127.0 32.6 128.0 2.9 152.0 8.5 154.0 2.7 170.0 35.1 171.0 3.2 172.0 11.4 173.0 1.0
90 MHz in CDCl3
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1H NMR 89.56 MHz C8 H7 Cl O2 0.043 g : 0.5 ml CDCl3 (p-chlorophenyl)acetic acid 
Assign. Shift(ppm)
A 11.29 B 7.29 C 7.20 D 3.602
Hz ppm Int.1011.29 11.292 97 659.24 7.361 125 658.22 7.350 97 656.34 7.329 72 653.00 7.292 116 650.35 7.262 1000 648.99 7.247 359 648.22 7.238 387 647.11 7.226 782 644.37 7.195 95 641.13 7.159 52 639.16 7.137 74 638.39 7.129 95 322.66 3.603 979
in CDCl3
CCl4 solution
KBr disc
nujol mull
