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Benzeneoctanoic acid, 2-butyl-, methyl ester
SpectraBase Compound ID GxE0bX7JJ79
InChI InChI=1S/C19H30O2/c1-3-4-12-17-14-10-11-15-18(17)13-8-6-5-7-9-16-19(20)21-2/h10-11,14-15H,3-9,12-13,16H2,1-2H3
InChIKey RSFHXGKIZJQFHM-UHFFFAOYSA-N
Mol Weight 290.45 g/mol
Molecular Formula C19H30O2
Exact Mass 290.22458 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID CyWc0CHfZzu
Name Benzeneoctanoic acid, 2-butyl-, methyl ester
CAS Registry Number 13397-99-4
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C19H30O2
InChI InChI=1S/C19H30O2/c1-3-4-12-17-14-10-11-15-18(17)13-8-6-5-7-9-16-19(20)21-2/h10-11,14-15H,3-9,12-13,16H2,1-2H3
InChIKey RSFHXGKIZJQFHM-UHFFFAOYSA-N
Molecular Weight 290.447 g/mol
SMILES C(=O)(OC)CCCCCCCc1c(CCCC)cccc1
SPLASH splash10-054o-9510000000-c7d7cdb9cf64d6d771eb
Source of Spectrum T-66-1691-0
Synonyms Methyl 8-(2'-butylphenyl)octanoate Methyl 8-(2-butylphenyl)octanoate Octanoic acid, 8-(o-butylphenyl)-, methyl ester
Wiley ID 42836