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Methyl 3-(1-acetyl-2,2-dimethyl-5-oxocyclopentyl)propanoate
SpectraBase Compound ID KGN7PeJcIMh
InChI InChI=1S/C13H20O4/c1-9(14)13(8-6-11(16)17-4)10(15)5-7-12(13,2)3/h5-8H2,1-4H3
InChIKey AITHAXNFUQZGPH-UHFFFAOYSA-N
Mol Weight 240.3 g/mol
Molecular Formula C13H20O4
Exact Mass 240.136159 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 9vJjIMHFIku
Name Methyl 3-(1-acetyl-2,2-dimethyl-5-oxocyclopentyl)propanoate
CAS Registry Number 70412-70-3
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H20O4
InChI InChI=1S/C13H20O4/c1-9(14)13(8-6-11(16)17-4)10(15)5-7-12(13,2)3/h5-8H2,1-4H3
InChIKey AITHAXNFUQZGPH-UHFFFAOYSA-N
Molecular Weight 240.299 g/mol
SMILES C1(C(C(C)(CC1)C)(CCC(=O)OC)C(C)=O)=O
SPLASH splash10-0uec-3900000000-025b7d8d53bb82d51e38
Source of Spectrum H-62-574-0
Synonyms 3-(1-Acetyl-2,2-dimethyl-5-oxocyclopentyl)-propionic acid, methyl ester 3-(1-acetyl-2,2-dimethyl-5-oxocyclopentyl)propanoic acid methyl ester 3-(1-acetyl-5-keto-2,2-dimethyl-cyclopentyl)propionic acid methyl ester Methyl 3-(1-ethanoyl-2,2-dimethyl-5-oxidanylidene-cyclopentyl)propanoate
Wiley ID 1242832