trans-O-Methyl-p-coumaric acid(943-89-5) IR1
Product Nametrans-O-Methyl-p-coumaric acid
CAS943-89-5
Molecular FormulaC10H10O3
Molecular Weight178.18
InChIInChI=1S/C10H10O3/c1-13-9-5-2-8(3-6-9)4-7-10(11)12/h2-7H,1H3,(H,11,12)/b7-4+
InChIKey AFDXODALSZRGIH-QPJJXVBHSA-N
SmilesC(O)(=O)/C=C/C1=CC=C(OC)C=C1
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Assign. Shift(ppm)
A 12. B 7.651 C 7.577 D 6.984 E 6.405 F 3.806 J(C,E)=16.0HZSpectral Code: 1H NMR : 400 MHz in DMSO-d6
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ppm Int. Assign.
167.76 234 1 160.89 410 2 143.68 434 3 129.85 976 4 126.78 488 5 116.46 298 6 114.29 1000 7 55.22 517 8Spectral Code: 13C NMR : in DMSO-d6
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Spectral Code: IR : nujol mull
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Spectral Code: Raman : 4880 A,200 M,powder
