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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 6b9XxPPLLBn
Name 3-cyclohexylbutanoic acid methyl ester
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 splash10-0nmi-8900000000-ec0cbe3418ee137c0d27
Source of Spectrum AT-37-3140-0
Synonyms 3-cyclohexylbutyric acid methyl ester Methyl 3-cyclohexylbutanoate
Wiley ID 853473