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Benzenebutanoic acid, .beta.-hydroxy-4-pentyl-.beta.-(4-propylphenyl)-, ethyl ester
SpectraBase Compound ID 4NY2kSr3h9Q
InChI InChI=1S/C26H36O3/c1-4-7-8-10-22-11-13-23(14-12-22)19-26(28,20-25(27)29-6-3)24-17-15-21(9-5-2)16-18-24/h11-18,28H,4-10,19-20H2,1-3H3
InChIKey KCEPUVDFPAOWSO-UHFFFAOYSA-N
Mol Weight 396.6 g/mol
Molecular Formula C26H36O3
Exact Mass 396.266445 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID dfKk4Iw44h
Name Benzenebutanoic acid, .beta.-hydroxy-4-pentyl-.beta.-(4-propylphenyl)-, ethyl ester
CAS Registry Number 83787-92-2
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C26H36O3
InChI InChI=1S/C26H36O3/c1-4-7-8-10-22-11-13-23(14-12-22)19-26(28,20-25(27)29-6-3)24-17-15-21(9-5-2)16-18-24/h11-18,28H,4-10,19-20H2,1-3H3
InChIKey KCEPUVDFPAOWSO-UHFFFAOYSA-N
Molecular Weight 396.571 g/mol
SMILES OC(CC(=O)OCC)(c1ccc(cc1)CCC)Cc1ccc(cc1)CCCCC
SPLASH splash10-000b-0953000000-497c141a237f01408f9a
Source of Spectrum H-65-1329-0
Synonyms Ethyl 3-hydroxy-4-(4-pentylphenyl)-3-(4-propylphenyl)butanoate Ethyl 3-hydroxy-4-(4-pentylphenyl)-3-(4-propylphenyl)butyrate
Wiley ID 1367708