4-Chloromandelic acid(7138-34-3) 1H NMR
Product Name4-Chloromandelic acid
CAS7138-34-3
Molecular FormulaC8H7ClO3
Molecular Weight186.59
InChIInChI=1S/C8H7ClO3/c9-6-3-1-5(2-4-6)7(10)8(11)12/h1-4,7,10H,(H,11,12)
InChIKey BWSFWXSSALIZAU-UHFFFAOYSA-N
SmilesC(O)(=O)C(C1=CC=C(Cl)C=C1)O
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MassMS-NW-2235 DL-p-chloro-alpha-hydroxyphenylacetic acid C8H7ClO3 (Mass of molecular ion: 186)
Source Temperature: 150 °C Sample Temperature: 100 °C Direct, 75 eV
18.0 2.1 27.0 1.1 29.0 4.2 38.0 1.4 39.0 1.7 45.0 1.8 50.0 4.9 51.0 9.4 52.0 1.7 62.0 1.2 63.0 1.6 73.0 1.2 74.0 2.2 75.0 5.8 76.0 1.5 77.0 71.2 78.0 7.8 89.0 2.7 105.0 2.0 106.0 1.2 111.0 4.6 113.0 14.5 114.0 1.2 115.0 4.2 124.0 2.6 139.0 3.7 140.0 1.0 141.0 100.0 142.0 8.5 143.0 31.0 144.0 2.6 186.0 13.9 187.0 1.2 188.0 4.6
400 MHz in DMSO-d6
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1H NMR 399.65 MHz C8 H7 Cl O3 0.039 g : 0.5 ml DMSO-d6 DL-p-chloro-alpha-hydroxyphenylacetic acid 
Assign. Shift(ppm)
A 7.449 B 7.420 C 5.065
Hz ppm Int.2983.28 7.465 263 2981.45 7.461 129 2976.93 7.449 194 2974.73 7.444 891 2969.24 7.430 239 2967.53 7.426 1000 2965.21 7.420 236 2960.94 7.409 138 2958.62 7.404 305 2024.54 5.066 669
KBr disc
