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Heptanoic acid, 7-(o-pentylphenyl)-, methyl ester
SpectraBase Compound ID G8qgBbHfb5O
InChI InChI=1S/C19H30O2/c1-3-4-7-12-17-14-10-11-15-18(17)13-8-5-6-9-16-19(20)21-2/h10-11,14-15H,3-9,12-13,16H2,1-2H3
InChIKey APKFDCCNVOZJQJ-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 8mmXaUXA0yn
Name Heptanoic acid, 7-(o-pentylphenyl)-, methyl ester
CAS Registry Number 13397-97-2
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C19H30O2
InChI InChI=1S/C19H30O2/c1-3-4-7-12-17-14-10-11-15-18(17)13-8-5-6-9-16-19(20)21-2/h10-11,14-15H,3-9,12-13,16H2,1-2H3
InChIKey APKFDCCNVOZJQJ-UHFFFAOYSA-N
Molecular Weight 290.447 g/mol
SMILES CCCCCc1ccccc1CCCCCCC(=O)OC
SPLASH splash10-0006-9410000000-625baa86a4da65429523
Source of Spectrum T-66-1690-0
Synonyms Methyl 7-(2-pentylphenyl)heptanoate 7-(2-amylphenyl)enanthic acid methyl ester 7-(2-pentylphenyl)heptanoic acid methyl ester
Wiley ID 42837