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2-Cyclopentene-1-acetic acid, .alpha.-acetyl-4-oxo-, 1,1-dimethylethyl ester

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2-Cyclopentene-1-acetic acid, .alpha.-acetyl-4-oxo-, 1,1-dimethylethyl ester
SpectraBase Compound ID JEZIObiBpis
InChI InChI=1S/C13H18O4/c1-8(14)11(9-5-6-10(15)7-9)12(16)17-13(2,3)4/h5-6,9,11H,7H2,1-4H3
InChIKey DGBRHPSCXXFHFD-UHFFFAOYSA-N
Mol Weight 238.28 g/mol
Molecular Formula C13H18O4
Exact Mass 238.120509 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID B42lxdVT66C
Name 2-Cyclopentene-1-acetic acid, .alpha.-acetyl-4-oxo-, 1,1-dimethylethyl ester
Alternate Name(s) tert-Butyl 3-oxo-2-(4-oxo-2-cyclopenten-1-yl)butanoate tert-Butylester of 3-oxo-2-(4-oxo-2-cyclopenten-1-yl)butyric acid
CAS Registry Number 62359-82-4
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H18O4
InChI InChI=1S/C13H18O4/c1-8(14)11(9-5-6-10(15)7-9)12(16)17-13(2,3)4/h5-6,9,11H,7H2,1-4H3
InChIKey DGBRHPSCXXFHFD-UHFFFAOYSA-N
Molecular Weight 238.283 g/mol
SMILES C(C(C1C=CC(C1)=O)C(=O)C)(OC(C)(C)C)=O
SPLASH splash10-001s-9810000000-aebc7a999f46b9091c90
Source of Spectrum K-110-150-0
Wiley ID 1240453