(4-CHLOROMETHYLPHENYL)ACETIC ACID(938-95-4) 13C NMR
Product Name(4-CHLOROMETHYLPHENYL)ACETIC ACID
CAS938-95-4
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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MassMS-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
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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
KBr disc
nujol mull
