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3-Oxobutyric acid, 2-(2-oxocycloheptyl)methyl-, ethyl ester
SpectraBase Compound ID HYi6NUbF1Rh
InChI InChI=1S/C14H22O4/c1-3-18-14(17)12(10(2)15)9-11-7-5-4-6-8-13(11)16/h11-12H,3-9H2,1-2H3
InChIKey OTSZPSIENKKMBD-UHFFFAOYSA-N
Mol Weight 254.33 g/mol
Molecular Formula C14H22O4
Exact Mass 254.151809 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 6z7QGXuvq5c
Name 3-Oxobutyric acid, 2-(2-oxocycloheptyl)methyl-, ethyl ester
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C14H22O4
InChI InChI=1S/C14H22O4/c1-3-18-14(17)12(10(2)15)9-11-7-5-4-6-8-13(11)16/h11-12H,3-9H2,1-2H3
InChIKey OTSZPSIENKKMBD-UHFFFAOYSA-N
Molecular Weight 254.326 g/mol
SMILES C1(=O)C(CCCCC1)CC(C(=O)C)C(=O)OCC
SPLASH splash10-0006-9500000000-a6af1a1d9f3e61edc113
Synonyms 3-keto-2-[(2-ketocycloheptyl)methyl]butyric acid ethyl ester 3-Oxo-2-[(2-oxocycloheptyl)methyl]butanoic acid ethyl ester Ethyl 3-oxidanylidene-2-[(2-oxidanylidenecycloheptyl)methyl]butanoate Ethyl 3-oxo-2-[(2-oxocycloheptyl)methyl]butanoate
Wiley ID 1491074