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3-cyclohexylbutanoic acid methyl ester
SpectraBase Compound ID 68QFjw1JWtJ
InChI InChI=1S/C11H20O2/c1-9(8-11(12)13-2)10-6-4-3-5-7-10/h9-10H,3-8H2,1-2H3
InChIKey LDQAOBIFCLLYOK-UHFFFAOYSA-N
Mol Weight 184.28 g/mol
Molecular Formula C11H20O2
Exact Mass 184.14633 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID E5uXn08U7jC
Name 3-cyclohexylbutanoic acid methyl ester
Alternate Name(s) 3-cyclohexylbutyric acid methyl ester Methyl 3-cyclohexylbutanoate
CAS Registry Number 64198-21-6
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C11H20O2
InChI InChI=1S/C11H20O2/c1-9(8-11(12)13-2)10-6-4-3-5-7-10/h9-10H,3-8H2,1-2H3
InChIKey LDQAOBIFCLLYOK-UHFFFAOYSA-N
Molecular Weight 184.279 g/mol
SMILES C(CC(C1CCCCC1)C)(=O)OC
SPLASH splash10-11bl-9600000000-7305e3dbfcdecf829f9a
Source of Spectrum F-42-4246-0
Wiley ID 1180992