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2,6-Octadienoic acid, 8-[2,5-bis(acetyloxy)phenyl]-2,6-dimethyl-, methyl ester, (E,E)-
SpectraBase Compound ID JdJcmsATQJ6
InChI InChI=1S/C21H26O6/c1-14(7-6-8-15(2)21(24)25-5)9-10-18-13-19(26-16(3)22)11-12-20(18)27-17(4)23/h8-9,11-13H,6-7,10H2,1-5H3/b14-9+,15-8+
InChIKey WDNOEHLVENCOFC-LPSKSUNQSA-N
Mol Weight 374.43 g/mol
Molecular Formula C21H26O6
Exact Mass 374.172939 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID H5qd7VCSoIg
Name 2,6-Octadienoic acid, 8-[2,5-bis(acetyloxy)phenyl]-2,6-dimethyl-, methyl ester, (E,E)-
CAS Registry Number 85563-97-9
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C21H26O6
InChI InChI=1S/C21H26O6/c1-14(7-6-8-15(2)21(24)25-5)9-10-18-13-19(26-16(3)22)11-12-20(18)27-17(4)23/h8-9,11-13H,6-7,10H2,1-5H3/b14-9+,15-8+
InChIKey WDNOEHLVENCOFC-LPSKSUNQSA-N
Molecular Weight 374.433 g/mol
SMILES C(\C(=C\CC\C(=C\Cc1c(OC(=O)C)ccc(OC(=O)C)c1)C)C)(=O)OC
SPLASH splash10-01ox-3942000000-b8cee9e6957bddd97a77
Source of Spectrum KC-1983-42-0
Synonyms Methyl (2E,6E)-8-[2,5-bis(acetyloxy)phenyl]-2,6-dimethyl-2,6-octadienoate Methyl alliodorate diacetate
Wiley ID 1356642