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2,6-Octadienoic acid, 8-(2,5-dihydroxyphenyl)-2,6-dimethyl-, methyl ester, (E,E)-
SpectraBase Compound ID K2YfFaY2K3t
InChI InChI=1S/C17H22O4/c1-12(5-4-6-13(2)17(20)21-3)7-8-14-11-15(18)9-10-16(14)19/h6-7,9-11,18-19H,4-5,8H2,1-3H3/b12-7+,13-6+
InChIKey MJGFICABMFGCKV-GTAKWKLUSA-N
Mol Weight 290.36 g/mol
Molecular Formula C17H22O4
Exact Mass 290.151809 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID G1d9Xzps5CV
Name 2,6-Octadienoic acid, 8-(2,5-dihydroxyphenyl)-2,6-dimethyl-, methyl ester, (E,E)-
CAS Registry Number 85563-96-8
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C17H22O4
InChI InChI=1S/C17H22O4/c1-12(5-4-6-13(2)17(20)21-3)7-8-14-11-15(18)9-10-16(14)19/h6-7,9-11,18-19H,4-5,8H2,1-3H3/b12-7+,13-6+
InChIKey MJGFICABMFGCKV-GTAKWKLUSA-N
Molecular Weight 290.359 g/mol
SMILES Oc1cc(c(cc1)O)C\C=C\(CC\C=C\(C(=O)OC)C)C
SPLASH splash10-074l-0950000000-704d94e12dd0bc286ae7
Source of Spectrum KC-1983-42-0
Synonyms Methyl (2E,6E)-8-(2,5-dihydroxyphenyl)-2,6-dimethyl-2,6-octadienoate Methyl 8-(2,5-dihydroxyphenyl-2,6-dimethylocta-2,6-dienoic acid) Methyl alliodorate
Wiley ID 1293703