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Cyclohexaneheptanoic acid, 2-pentyl-, methyl ester
SpectraBase Compound ID 18HuYatEnFV
InChI InChI=1S/C19H36O2/c1-3-4-7-12-17-14-10-11-15-18(17)13-8-5-6-9-16-19(20)21-2/h17-18H,3-16H2,1-2H3
InChIKey ZOSQNEXXAVNWJH-UHFFFAOYSA-N
Mol Weight 296.5 g/mol
Molecular Formula C19H36O2
Exact Mass 296.27153 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID FWKncZdB3C8
Name Cyclohexaneheptanoic acid, 2-pentyl-, methyl ester
CAS Registry Number 16847-10-2
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C19H36O2
InChI InChI=1S/C19H36O2/c1-3-4-7-12-17-14-10-11-15-18(17)13-8-5-6-9-16-19(20)21-2/h17-18H,3-16H2,1-2H3
InChIKey ZOSQNEXXAVNWJH-UHFFFAOYSA-N
Molecular Weight 296.495 g/mol
SMILES C(CC1C(CCCCC)CCCC1)CCCCC(OC)=O
SPLASH splash10-054p-9110000000-bd56097f3e787d419d47
Source of Spectrum T-66-1732-0
Synonyms Methyl 7-(2-pentylcyclohexyl)heptanoate 7-(2-amylcyclohexyl)enanthic acid methyl ester 7-(2-pentylcyclohexyl)heptanoic acid methyl ester
Wiley ID 1299616