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Methyl 2-oxo-1-cycloheptanecarboxylate
SpectraBase Compound ID 28Bt6YBWsaV
InChI InChI=1S/C9H14O3/c1-12-9(11)7-5-3-2-4-6-8(7)10/h7H,2-6H2,1H3
InChIKey BLNHITXSJKCQGZ-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 LihS1xIkYPy
Name 2-ketocycloheptanecarboxylic acid methyl ester
Alternate Name(s) Methyl 2-oxocycloheptane-1-carboxylate 2-Oxo-1-cycloheptanecarboxylic acid methyl ester Methyl 2-oxidanylidenecycloheptane-1-carboxylate Methyl 2-oxocycloheptanecarboxylate
CAS Registry Number 52784-32-4
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C9H14O3
InChI InChI=1S/C9H14O3/c1-12-9(11)7-5-3-2-4-6-8(7)10/h7H,2-6H2,1H3
InChIKey BLNHITXSJKCQGZ-UHFFFAOYSA-N
Molecular Weight 170.208 g/mol
SMILES C1(C(CCCCC1)=O)C(=O)OC
SPLASH splash10-0abi-9300000000-cbcc4ec3284f9b72e1ab
Source of Spectrum AC-1994-728-16
Wiley ID 811792