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3-Chlorocinnamic acid(14473-90-6) 1H NMR
Product Name3-Chlorocinnamic acid
CAS14473-90-6
Molecular FormulaC9H7ClO2
Molecular Weight182.6
InChIInChI=1S/C9H7ClO2/c10-8-3-1-2-7(6-8)4-5-9(11)12/h1-6H,(H,11,12)/b5-4+
InChIKey FFKGOJWPSXRALK-SNAWJCMRSA-N
SmilesC(O)(=O)/C=C/C1=CC=CC(Cl)=C1
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Assign. Shift(ppm)
A 12.6 B 7.821 C 7.681 D 7.601 E 7.47 F 7.45 G 6.647Spectral Code: 1H NMR : 400 MHz in DMSO-d6
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ppm Int. Assign.
167.28 790 1 142.23 892 2 136.51 951 3 133.74 758 4 130.57 1000 5 * 129.73 747 6 * 127.73 989 7 126.67 967 8 120.96 989 9Spectral Code: 13C NMR : in DMSO-d6
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Spectral Code: IR : nujol mull
