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Methyl 4-octylcyclohexanecarboxylate
SpectraBase Compound ID 4YTRuH28lV4
InChI InChI=1S/C16H30O2/c1-3-4-5-6-7-8-9-14-10-12-15(13-11-14)16(17)18-2/h14-15H,3-13H2,1-2H3
InChIKey VZBQPSRUXWJLRQ-UHFFFAOYSA-N
Mol Weight 254.41 g/mol
Molecular Formula C16H30O2
Exact Mass 254.22458 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 3SOlPAx5hJz
Name Methyl 4-octylcyclohexanecarboxylate
Alternate Name(s) 4-Octyl-1-cyclohexanecarboxylic acid methyl ester 4-Octylcyclohexanecarboxylic acid methyl ester Methyl 4-octylcyclohexane-1-carboxylate Methyl trans-4-octylcyclohexanecarboxylate
CAS Registry Number 80361-87-1
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C16H30O2
InChI InChI=1S/C16H30O2/c1-3-4-5-6-7-8-9-14-10-12-15(13-11-14)16(17)18-2/h14-15H,3-13H2,1-2H3
InChIKey VZBQPSRUXWJLRQ-UHFFFAOYSA-N
Molecular Weight 254.414 g/mol
SMILES C(C1CCC(CC1)C(=O)OC)CCCCCCC
SPLASH splash10-053u-9100000000-ecb4242026a3a255ef7d
Source of Spectrum O-21-87-0
Wiley ID 1258192