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Pinastric acid

View entire compound with spectra: 2 MS (GC)

Pinastric acid
SpectraBase Compound ID b1dt5zqngJ
InChI InChI=1S/C20H16O6/c1-24-14-10-8-13(9-11-14)15-17(21)18(26-20(15)23)16(19(22)25-2)12-6-4-3-5-7-12/h3-11,21H,1-2H3/b18-16+
InChIKey KXQKSBAGVQMQSN-FBMGVBCBSA-N
Mol Weight 352.34 g/mol
Molecular Formula C20H16O6
Exact Mass 352.094688 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 6T9doXDawAm
Name Benzeneacetic acid, .alpha.-[3-hydroxy-4-(4-methoxyphenyl)-5-oxo-2(5H)-furanylidene]-, methyl ester, (E)-
Alternate Name(s) Methyl (2E)-(3-hydroxy-4-(4-methoxyphenyl)-5-oxo-2(5H)-furanylidene)(phenyl)ethanoate .delta.2(5H),.alpha.-Furanacetic acid, 3-hydroxy-4-(p-methoxyphenyl)-5-oxo-.alpha.-phenyl-, methyl ester Benzeneacetic acid, .alpha.-[3-hydroxy-4-(4-methoxyphenyl)-5-oxo-2(5H)-furanylidene]-, methyl ester Pinastric acid 4'-Methoxyvulpinic acid .delta.(sup 2(5H),.alpha.)-Furanacetic acid, 3-hydroxy-4-(p-methoxyphenyl)-5-oxo-.alpha.-phenyl-, methyl ester
CAS Registry Number 481-64-1
Comments Structure changed after expert review
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C20H16O6
InChI InChI=1S/C20H16O6/c1-24-14-10-8-13(9-11-14)15-17(21)18(26-20(15)23)16(19(22)25-2)12-6-4-3-5-7-12/h3-11,21H,1-2H3/b18-16+
InChIKey KXQKSBAGVQMQSN-FBMGVBCBSA-N
Molecular Weight 352.342 g/mol
SMILES OC=1\C(=C/(C(OC)=O)c2ccccc2)OC(C1c1ccc(cc1)OC)=O
SPLASH splash10-0072-5967000000-c6a481384974ae0ba4ea
Source of Spectrum T-67-3897-0
Wiley ID 52183