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Cycloheptanepentanoic acid, 2-oxo-
SpectraBase Compound ID DzrZYI9d9ti
InChI InChI=1S/C12H20O3/c13-11-8-3-1-2-6-10(11)7-4-5-9-12(14)15/h10H,1-9H2,(H,14,15)
InChIKey FOLALZSTJSGKFN-UHFFFAOYSA-N
Mol Weight 212.29 g/mol
Molecular Formula C12H20O3
Exact Mass 212.141245 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID I67cKsIbyS9
Name Cycloheptanepentanoic acid, 2-oxo-
Alternate Name(s) 5-(2-Oxocycloheptyl)pentanoic acid 5-(2-ketocycloheptyl)valeric acid 5-(2-oxidanylidenecycloheptyl)pentanoic acid Cycloheptanevaleric acid, 2-oxo-
CAS Registry Number 33371-95-8
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C12H20O3
InChI InChI=1S/C12H20O3/c13-11-8-3-1-2-6-10(11)7-4-5-9-12(14)15/h10H,1-9H2,(H,14,15)
InChIKey FOLALZSTJSGKFN-UHFFFAOYSA-N
Molecular Weight 212.289 g/mol
SMILES OC(CCCCC1CCCCCC1=O)=O
SPLASH splash10-03dl-9300000000-c83da2fdc75911dede3d
Source of Spectrum EP-6237-0-0
Wiley ID 1211470