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4-(4'-hydroxy-2'-methoxy-6'-nonylbenzoyloxy)-6-heptyl-2-hydroxybenzoic acid
SpectraBase Compound ID 21p9gWo0sYk
InChI InChI=1S/C31H44O7/c1-4-6-8-10-11-13-15-16-22-18-24(32)20-27(37-3)29(22)31(36)38-25-19-23(17-14-12-9-7-5-2)28(30(34)35)26(33)21-25/h18-21,32-33H,4-17H2,1-3H3,(H,34,35)
InChIKey NTBSOVDUOZYXMQ-UHFFFAOYSA-N
Mol Weight 528.7 g/mol
Molecular Formula C31H44O7
Exact Mass 528.308704 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID IBLOZF6AxCa
Name 4-(4'-hydroxy-2'-methoxy-6'-nonylbenzoyloxy)-6-heptyl-2-hydroxybenzoic acid
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C31H44O7
InChI InChI=1S/C31H44O7/c1-4-6-8-10-11-13-15-16-22-18-24(32)20-27(37-3)29(22)31(36)38-25-19-23(17-14-12-9-7-5-2)28(30(34)35)26(33)21-25/h18-21,32-33H,4-17H2,1-3H3,(H,34,35)
InChIKey NTBSOVDUOZYXMQ-UHFFFAOYSA-N
Molecular Weight 528.686 g/mol
SMILES Oc1cc(cc(c1C(=O)O)CCCCCCC)OC(c1c(cc(cc1CCCCCCCCC)O)OC)=O
SPLASH splash10-00di-0920000000-6754d08c619856dda639
Source of Spectrum B-47-1345-0
Synonyms 2-Heptyl-6-hydroxy-4-[(4-hydroxy-2-methoxy-6-nonylbenzoyl)oxy]benzoic acid
Wiley ID 1403101