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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 LM9Htgn22kf
Name 2-ketocycloheptanecarboxylic acid methyl ester
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(=O)OC)C(=O)CCCCC1
SPLASH splash10-0a4i-9500000000-46ab594dc4dcd1fdcba7
Source of Spectrum KC-0-88-6
Synonyms Methyl 2-oxocycloheptane-1-carboxylate 2-Oxo-1-cycloheptanecarboxylic acid methyl ester Methyl 2-oxidanylidenecycloheptane-1-carboxylate Methyl 2-oxocycloheptanecarboxylate
Wiley ID 775872