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4-(6'-heptyl-4'-hydroxy-2'-methoxybenzoyloxy)-2-hydroxy-6-nonylbenzoic acid
SpectraBase Compound ID 5a3Al3TrvBd
InChI InChI=1S/C31H44O7/c1-4-6-8-10-11-13-15-17-23-19-25(21-26(33)28(23)30(34)35)38-31(36)29-22(16-14-12-9-7-5-2)18-24(32)20-27(29)37-3/h18-21,32-33H,4-17H2,1-3H3,(H,34,35)
InChIKey ICXORLIGAKVSEG-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 3HawI1MWpiM
Name 4-(6'-heptyl-4'-hydroxy-2'-methoxybenzoyloxy)-2-hydroxy-6-nonylbenzoic acid
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C31H44O7
InChI InChI=1S/C31H44O7/c1-4-6-8-10-11-13-15-17-23-19-25(21-26(33)28(23)30(34)35)38-31(36)29-22(16-14-12-9-7-5-2)18-24(32)20-27(29)37-3/h18-21,32-33H,4-17H2,1-3H3,(H,34,35)
InChIKey ICXORLIGAKVSEG-UHFFFAOYSA-N
Molecular Weight 528.686 g/mol
SMILES Oc1cc(cc(c1C(=O)O)CCCCCCCCC)OC(c1c(cc(cc1CCCCCCC)O)OC)=O
SPLASH splash10-00di-0900000000-284cf3362444d4eeaa43
Source of Spectrum B-47-1345-0
Synonyms 4-[(2-heptyl-4-hydroxy-6-methoxybenzoyl)oxy]-2-hydroxy-6-nonylbenzoic acid
Wiley ID 1403100