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o-Anisic acid, 4-hydroxy-6-pentyl-, methyl ester, ester with 2-hydroxy-6-(2-oxoheptyl)-p-anisic acid
SpectraBase Compound ID 7OIPhnRUunK
InChI InChI=1S/C29H38O8/c1-6-8-10-12-19-15-23(18-25(35-4)27(19)28(32)36-5)37-29(33)26-20(14-21(30)13-11-9-7-2)16-22(34-3)17-24(26)31/h15-18,31H,6-14H2,1-5H3
InChIKey OSLVGBOJUFMXHR-UHFFFAOYSA-N
Mol Weight 514.6 g/mol
Molecular Formula C29H38O8
Exact Mass 514.256668 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID LB6MTA0oKWD
Name o-Anisic acid, 4-hydroxy-6-pentyl-, methyl ester, ester with 2-hydroxy-6-(2-oxoheptyl)-p-anisic acid
CAS Registry Number 19314-73-9
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C29H38O8
InChI InChI=1S/C29H38O8/c1-6-8-10-12-19-15-23(18-25(35-4)27(19)28(32)36-5)37-29(33)26-20(14-21(30)13-11-9-7-2)16-22(34-3)17-24(26)31/h15-18,31H,6-14H2,1-5H3
InChIKey OSLVGBOJUFMXHR-UHFFFAOYSA-N
Molecular Weight 514.615 g/mol
SMILES Oc1cc(cc(CC(CCCCC)=O)c1C(=O)Oc1cc(CCCCC)c(c(c1)OC)C(=O)OC)OC
SPLASH splash10-0f92-4920000000-ec67bd331a9179292d11
Source of Spectrum W5-0-0-0
Synonyms Methyl 4-([2-hydroxy-4-methoxy-6-(2-oxoheptyl)benzoyl]oxy)-2-methoxy-6-pentylbenzoate 4-[[2-hydroxy-4-methoxy-6-(2-oxoheptyl)phenyl]-oxomethoxy]-2-methoxy-6-pentylbenzoic acid methyl ester Methyl 4-[2-hydroxy-4-methoxy-6-(2-oxoheptyl)benzoyl]oxy-2-methoxy-6-pentylbenzoate Methyl 4-[2-hydroxy-4-methoxy-6-(2-oxoheptyl)benzoyl]oxy-2-methoxy-6-pentyl-benzoate Methyl 2-methoxy-4-[4-methoxy-2-oxidanyl-6-(2-oxidanylideneheptyl)phenyl]carbonyloxy-6-pentyl-benzoate
Wiley ID 1401131