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Pentanoic acid, 2-methylcyclohexyl ester, trans-
SpectraBase Compound ID 9xjOzZpQLZQ
InChI InChI=1S/C12H22O2/c1-3-4-9-12(13)14-11-8-6-5-7-10(11)2/h10-11H,3-9H2,1-2H3
InChIKey MIGMVMOWKWRKCV-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 AVJYdrgway2
Name Pentanoic acid, 2-methylcyclohexyl ester, trans-
CAS Registry Number 54714-36-2
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C12H22O2
InChI InChI=1S/C12H22O2/c1-3-4-9-12(13)14-11-8-6-5-7-10(11)2/h10-11H,3-9H2,1-2H3
InChIKey MIGMVMOWKWRKCV-UHFFFAOYSA-N
Molecular Weight 198.306 g/mol
SMILES CC1C(OC(=O)CCCC)CCCC1
SPLASH splash10-052k-9000000000-93caa6bb911b537115d4
Source of Spectrum SD-1981-0-0
Synonyms Pentanoic acid, 2-methylcyclohexyl ester, cis- 2-Methylcyclohexyl pentanoate Pentanoic acid (2-methylcyclohexyl) ester Valeric acid, 2-methylcyclohexyl ester, trans- valeric acid (2-methylcyclohexyl) ester
Wiley ID 1195978