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Methyl (3-oxocyclohexyl)acetate
SpectraBase Compound ID CX73V8RQt94
InChI InChI=1S/C9H14O3/c1-12-9(11)6-7-3-2-4-8(10)5-7/h7H,2-6H2,1H3
InChIKey XLWYQNLUACCYOT-UHFFFAOYSA-N
Mol Weight 170.21 g/mol
Molecular Formula C9H14O3
Exact Mass 170.094294 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 2fwnLlqMbWC
Name Methyl (3-oxocyclohexyl)acetate
CAS Registry Number 2808-12-0
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C9H14O3
InChI InChI=1S/C9H14O3/c1-12-9(11)6-7-3-2-4-8(10)5-7/h7H,2-6H2,1H3
InChIKey XLWYQNLUACCYOT-UHFFFAOYSA-N
Molecular Weight 170.208 g/mol
SMILES C1(=O)CCCC(C1)CC(=O)OC
SPLASH splash10-0002-9100000000-e9d4e07d2dbf158de08d
Source of Spectrum CV-2003-1074-3
Synonyms 2-(3-ketocyclohexyl)acetic acid methyl ester 2-(3-oxocyclohexyl)acetic acid methyl ester Cyclohexaneacetic acid, 3-oxo-, methyl ester Methyl 2-(3-oxidanylidenecyclohexyl)ethanoate Methyl 2-(3-Oxocyclohexyl)acetate
Wiley ID 1610940