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Cyclohexanehexanoic acid, .epsilon.-oxo-, methyl ester
SpectraBase Compound ID 9VusuuKVqWT
InChI InChI=1S/C13H22O3/c1-16-13(15)10-6-5-9-12(14)11-7-3-2-4-8-11/h11H,2-10H2,1H3
InChIKey ITTOPOCPQRLNJX-UHFFFAOYSA-N
Mol Weight 226.32 g/mol
Molecular Formula C13H22O3
Exact Mass 226.156895 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID BceysaktXVW
Name Cyclohexanehexanoic acid, .epsilon.-oxo-, methyl ester
Alternate Name(s) Methyl 6-cyclohexyl-6-oxohexanoate 6-cyclohexyl-6-keto-hexanoic acid methyl ester 6-cyclohexyl-6-oxohexanoic acid methyl ester Methyl 6-cyclohexyl-6-oxidanylidene-hexanoate
CAS Registry Number 50803-79-7
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H22O3
InChI InChI=1S/C13H22O3/c1-16-13(15)10-6-5-9-12(14)11-7-3-2-4-8-11/h11H,2-10H2,1H3
InChIKey ITTOPOCPQRLNJX-UHFFFAOYSA-N
Molecular Weight 226.316 g/mol
SMILES C(C(=O)C1CCCCC1)CCCC(OC)=O
SPLASH splash10-07cu-9500000000-c08d8d7a233075bb2e80
Source of Spectrum J-9-1031-11
Wiley ID 1227540