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2-(2,2,5-trimethyl-4-oxocyclopentyl)acetic acid methyl ester
SpectraBase Compound ID 5AGI4zmMYdE
InChI InChI=1S/C11H18O3/c1-7-8(5-10(13)14-4)11(2,3)6-9(7)12/h7-8H,5-6H2,1-4H3
InChIKey RGXQLSOTUDJVJE-UHFFFAOYSA-N
Mol Weight 198.26 g/mol
Molecular Formula C11H18O3
Exact Mass 198.125594 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID KgaziWtnltu
Name 2-(2,2,5-trimethyl-4-oxocyclopentyl)acetic acid methyl ester
CAS Registry Number 58795-39-4
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C11H18O3
InChI InChI=1S/C11H18O3/c1-7-8(5-10(13)14-4)11(2,3)6-9(7)12/h7-8H,5-6H2,1-4H3
InChIKey RGXQLSOTUDJVJE-UHFFFAOYSA-N
Molecular Weight 198.262 g/mol
SMILES C1(C(CC(C1C)=O)(C)C)CC(=O)OC
SPLASH splash10-0a7i-9500000000-cc6b025a0eee1de99488
Source of Spectrum H-59-93-14
Synonyms 2-(4-keto-2,2,5-trimethyl-cyclopentyl)acetic acid methyl ester Methyl 2-(2,2,5-trimethyl-4-oxidanylidene-cyclopentyl)ethanoate Methyl 2-(2,2,5-trimethyl-4-oxo-cyclopentyl)acetate
Wiley ID 1195475