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4-(3-Oxocyclohexyl)butyric acid, methyl ester

View entire compound with spectra: 3 MS (GC)

4-(3-Oxocyclohexyl)butyric acid, methyl ester
SpectraBase Compound ID AQAINEPHcAS
InChI InChI=1S/C11H18O3/c1-14-11(13)7-3-5-9-4-2-6-10(12)8-9/h9H,2-8H2,1H3
InChIKey DFDHVTJVRXUPRT-UHFFFAOYSA-N
Mol Weight 198.26 g/mol
Molecular Formula C11H18O3
Exact Mass 198.125594 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID DYoCLz3VGFj
Name 4-(3-Oxocyclohexyl)butyric acid, methyl ester
CAS Registry Number 147895-12-3
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C11H18O3
InChI InChI=1S/C11H18O3/c1-14-11(13)7-3-5-9-4-2-6-10(12)8-9/h9H,2-8H2,1H3
InChIKey DFDHVTJVRXUPRT-UHFFFAOYSA-N
Molecular Weight 198.262 g/mol
SMILES C1(=O)CC(CCC1)CCCC(=O)OC
SPLASH splash10-0002-9200000000-614c5f69d3c6a1ad6a7f
Synonyms 4-(3-ketocyclohexyl)butyric acid methyl ester 4-(3-oxocyclohexyl)butanoic acid methyl ester Methyl 4-(3-oxidanylidenecyclohexyl)butanoate Methyl 4-(3-oxocyclohexyl)butanoate
Wiley ID 1479831