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Methyl 1-butylcyclohexanecarboxylate
SpectraBase Compound ID 2fAPgGdj2KU
InChI InChI=1S/C12H22O2/c1-3-4-8-12(11(13)14-2)9-6-5-7-10-12/h3-10H2,1-2H3
InChIKey HFYNTJSQXRBKTO-UHFFFAOYSA-N
Mol Weight 198.31 g/mol
Molecular Formula C12H22O2
Exact Mass 198.16198 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID BeCAel3z1Ne
Name Methyl 1-butylcyclohexanecarboxylate
Alternate Name(s) 1-Butyl-1-cyclohexanecarboxylic acid methyl ester 1-Butylcyclohexanecarboxylic acid methyl ester Cyclohexanecarboxylic acid, 1-butyl-, methyl ester Methyl 1-butylcyclohexane-1-carboxylate
CAS Registry Number 7362-81-4
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C12H22O2
InChI InChI=1S/C12H22O2/c1-3-4-8-12(11(13)14-2)9-6-5-7-10-12/h3-10H2,1-2H3
InChIKey HFYNTJSQXRBKTO-UHFFFAOYSA-N
Molecular Weight 198.306 g/mol
SMILES C1CCCC(C1)(C(=O)OC)CCCC
SPLASH splash10-003f-9200000000-dfbe5105855c376fe84f
Source of Spectrum HE-1982-0-0
Wiley ID 1195844