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Cyclohexaneacetic acid, butyl ester
SpectraBase Compound ID K6VQBcMgNB6
InChI InChI=1S/C12H22O2/c1-2-3-9-14-12(13)10-11-7-5-4-6-8-11/h11H,2-10H2,1H3
InChIKey UMFJXFOZUPARGN-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 Lf316cmx6KE
Name Cyclohexaneacetic acid, butyl ester
CAS Registry Number 27948-12-5
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C12H22O2
InChI InChI=1S/C12H22O2/c1-2-3-9-14-12(13)10-11-7-5-4-6-8-11/h11H,2-10H2,1H3
InChIKey UMFJXFOZUPARGN-UHFFFAOYSA-N
Molecular Weight 198.306 g/mol
SMILES C1C(CC(=O)OCCCC)CCCC1
SPLASH splash10-0a4i-9100000000-05c36e0baabd6dcbd68e
Source of Spectrum AA-0-1397-1
Synonyms Butyl cyclohexylacetate 2-cyclohexylacetic acid butyl ester Butyl 2-cyclohexylacetate Butyl 2-cyclohexylethanoate n-Butyl cyclohexylacetate
Wiley ID 22989