Diphenolic acid(126-00-1) MS
Product NameDiphenolic acid
CAS126-00-1
Molecular FormulaC17H18O4
Molecular Weight286.32
InChIInChI=1S/C17H18O4/c1-17(11-10-16(20)21,12-2-6-14(18)7-3-12)13-4-8-15(19)9-5-13/h2-9,18-19H,10-11H2,1H3,(H,20,21)
InChIKey VKOUCJUTMGHNOR-UHFFFAOYSA-N
SmilesC(C)(CCC(=O)O)(C1C=CC(O)=CC=1)C1C=CC(O)=CC=1
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Assign. Shift(ppm)
A 12.0 B 9.19 C 6.957 D 6.672 E 2.234 F 1.951 G 1.469Spectral Code: 1H NMR : 400 MHz in DMSO-d6
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ppm Int. Assign.
174.41 125 1 155.04 565 2 139.39 435 3 127.70 1000 4 114.77 880 5 43.94 235 6 36.56 140 7 30.08 130 8 27.30 145 9Spectral Code: 13C NMR : in DMSO-d6
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Spectral Code: IR : nujol mull
