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Cycloheptanepentanoic acid, 2-oxo-, methyl ester
SpectraBase Compound ID 7uLOhjiKJ9G
InChI InChI=1S/C13H22O3/c1-16-13(15)10-6-5-8-11-7-3-2-4-9-12(11)14/h11H,2-10H2,1H3
InChIKey KMRFMYBPZDPODW-UHFFFAOYSA-N
Mol Weight 226.32 g/mol
Molecular Formula C13H22O3
Exact Mass 226.156895 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 19awZXvgdt6
Name Cycloheptanepentanoic acid, 2-oxo-, methyl ester
CAS Registry Number 50803-82-2
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H22O3
InChI InChI=1S/C13H22O3/c1-16-13(15)10-6-5-8-11-7-3-2-4-9-12(11)14/h11H,2-10H2,1H3
InChIKey KMRFMYBPZDPODW-UHFFFAOYSA-N
Molecular Weight 226.316 g/mol
SMILES C1(=O)C(CCCCC(=O)OC)CCCCC1
SPLASH splash10-01ot-9400000000-07bc59a265087920b345
Source of Spectrum J-9-1031-16
Synonyms Methyl 5-(2-cycloheptanone)pentanoate Methyl 5-(2-oxocycloheptyl)pentanoate
Wiley ID 1227546