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Methyl 3-oxo-cycloheptane-1-carboxylate

View entire compound with spectra: 1 NMR, 1 FTIR, and 2 MS (GC)

Methyl 3-oxo-cycloheptane-1-carboxylate
SpectraBase Compound ID A9y1MYeDfIk
InChI InChI=1S/C9H14O3/c1-12-9(11)7-4-2-3-5-8(10)6-7/h7H,2-6H2,1H3
InChIKey KNOYEWHQWMVNPM-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 DdmLhIZv5PI
Name 3-ketocycloheptanecarboxylic acid methyl ester
CAS Registry Number 37746-13-7
Comments Less than 3 mono-isotopic peaks
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Formula C9H14O3
InChI InChI=1S/C9H14O3/c1-12-9(11)7-4-2-3-5-8(10)6-7/h7H,2-6H2,1H3
InChIKey KNOYEWHQWMVNPM-UHFFFAOYSA-N
Molecular Weight 170.208 g/mol
SMILES C(C1CC(=O)CCCC1)(=O)OC
SPLASH splash10-00di-0900000000-f472dd345ea8ecddbcca
Source of Spectrum C-110-2572-38
Synonyms 3-oxo-1-cycloheptanecarboxylic acid methyl ester methyl 3-oxidanylidenecycloheptane-1-carboxylate Methyl 3-oxocycloheptane-1-carboxylate methyl 3-oxocycloheptanecarboxylate
Wiley ID 1166579