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Benzoic acid, 4-hexyl-, 4-(1-oxooctyl)phenyl ester
SpectraBase Compound ID JsWEtJtBFRn
InChI InChI=1S/C27H36O3/c1-3-5-7-9-11-13-26(28)23-18-20-25(21-19-23)30-27(29)24-16-14-22(15-17-24)12-10-8-6-4-2/h14-21H,3-13H2,1-2H3
InChIKey AZOWBLHUHQBJBL-UHFFFAOYSA-N
Mol Weight 408.6 g/mol
Molecular Formula C27H36O3
Exact Mass 408.266445 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID HHQ6h4PUXNl
Name Benzoic acid, 4-hexyl-, 4-(1-oxooctyl)phenyl ester
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C27H36O3
InChI InChI=1S/C27H36O3/c1-3-5-7-9-11-13-26(28)23-18-20-25(21-19-23)30-27(29)24-16-14-22(15-17-24)12-10-8-6-4-2/h14-21H,3-13H2,1-2H3
InChIKey AZOWBLHUHQBJBL-UHFFFAOYSA-N
Molecular Weight 408.582 g/mol
SMILES CCCCCCCC(=O)c1ccc(OC(=O)c2ccc(CCCCCC)cc2)cc1
SPLASH splash10-000i-4900000000-d657217be9a5679602f4
Source of Spectrum JX-2015-4-132
Synonyms 4-Octanoylphenyl 4-hexylbenzoate 4-Hexylbenzoic acid [4-(1-oxooctyl)phenyl] ester (4-octanoylphenyl) 4-hexylbenzoate
Wiley ID 1725582