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4-ketocycloheptanecarboxylic acid methyl ester
SpectraBase Compound ID 1XuYprIgUGU
InChI InChI=1S/C9H14O3/c1-12-9(11)7-3-2-4-8(10)6-5-7/h7H,2-6H2,1H3
InChIKey HARDIFNYOCNPTL-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 5yGq7LLHB6E
Name 4-ketocycloheptanecarboxylic acid methyl ester
Alternate Name(s) 4-Oxo-1-cycloheptanecarboxylic acid methyl ester Methyl 4-oxidanylidenecycloheptane-1-carboxylate Methyl 4-oxocycloheptane-1-carboxylate Methyl 4-oxocycloheptanecarboxylate
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Formula C9H14O3
InChI InChI=1S/C9H14O3/c1-12-9(11)7-3-2-4-8(10)6-5-7/h7H,2-6H2,1H3
InChIKey HARDIFNYOCNPTL-UHFFFAOYSA-N
Molecular Weight 170.208 g/mol
SMILES C(=O)(C1CCC(=O)CCC1)OC
SPLASH splash10-0bt9-4900000000-d60816a83e9662528075
Source of Spectrum F-51-11762-17
Wiley ID 793935