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5,5-Dimethyl-2-oxo-3-(2-phenyl-ethyl)-cyclopentanecarboxylic acid, methyl ester
SpectraBase Compound ID I6SrKQkjHF5
InChI InChI=1S/C17H22O3/c1-17(2)11-13(15(18)14(17)16(19)20-3)10-9-12-7-5-4-6-8-12/h4-8,13-14H,9-11H2,1-3H3
InChIKey LMPLXZDQFGRJCD-UHFFFAOYSA-N
Mol Weight 274.36 g/mol
Molecular Formula C17H22O3
Exact Mass 274.156895 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 1bLSBzEn9uA
Name 5-keto-2,2-dimethyl-4-phenethyl-cyclopentanecarboxylic acid methyl ester
CAS Registry Number 104620-24-8
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C17H22O3
InChI InChI=1S/C17H22O3/c1-17(2)11-13(15(18)14(17)16(19)20-3)10-9-12-7-5-4-6-8-12/h4-8,13-14H,9-11H2,1-3H3
InChIKey LMPLXZDQFGRJCD-UHFFFAOYSA-N
Molecular Weight 274.360 g/mol
SMILES C1(C(CC(C1=O)CCc1ccccc1)(C)C)C(=O)OC
SPLASH splash10-0770-0940000000-6dbf5952e522a4a001c2
Source of Spectrum C-108-7690-9
Synonyms Methyl 2,2-dimethyl-5-oxo-4-(2-phenylethyl)cyclopentanecarboxylate Methyl 2,2-dimethyl-5-oxo-4-phenethylcyclopentane-1-carboxylate 2,2-Dimethyl-5-oxo-4-(2-phenylethyl)-1-cyclopentanecarboxylic acid methyl ester Methyl 2,2-dimethyl-5-oxo-4-(2-phenylethyl)cyclopentane-1-carboxylate
Wiley ID 1278416