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4-(3-Ethylphenyl)-4-oxobutanoic acid

View entire compound with spectra: 1 MS (GC)

4-(3-Ethylphenyl)-4-oxobutanoic acid
SpectraBase Compound ID LiMdzsTZpvn
InChI InChI=1S/C12H14O3/c1-2-9-4-3-5-10(8-9)11(13)6-7-12(14)15/h3-5,8H,2,6-7H2,1H3,(H,14,15)
InChIKey PUNLEBBJUSZKHI-UHFFFAOYSA-N
Mol Weight 206.24 g/mol
Molecular Formula C12H14O3
Exact Mass 206.094294 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 2Vf9esjmkoG
Name 4-(3-Ethylphenyl)-4-oxobutanoic acid
CAS Registry Number 17503-46-7
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C12H14O3
InChI InChI=1S/C12H14O3/c1-2-9-4-3-5-10(8-9)11(13)6-7-12(14)15/h3-5,8H,2,6-7H2,1H3,(H,14,15)
InChIKey PUNLEBBJUSZKHI-UHFFFAOYSA-N
Molecular Weight 206.241 g/mol
SMILES OC(=O)CCC(=O)c1cccc(c1)CC
SPLASH splash10-001i-4900000000-0aea5f372e5b21587339
Source of Spectrum AD-0-2532-0
Synonyms 4-(3-Ethylphenyl)-4-keto-butyric acid 4-(3-Ethylphenyl)-4-oxidanylidene-butanoic acid Butanoic acid, 4-(3-ethylphenyl)-4-oxo-
Wiley ID 1432950