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4-(4-isopropylphenyl)-4-oxo-butanoic acid
SpectraBase Compound ID Di0qPcuj9Xn
InChI InChI=1S/C13H16O3/c1-9(2)10-3-5-11(6-4-10)12(14)7-8-13(15)16/h3-6,9H,7-8H2,1-2H3,(H,15,16)
InChIKey CRTBQADLERFRSD-UHFFFAOYSA-N
Mol Weight 220.27 g/mol
Molecular Formula C13H16O3
Exact Mass 220.109944 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 8nmFzMoNyMT
Name 4-(4-isopropylphenyl)-4-oxo-butanoic acid
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H16O3
InChI InChI=1S/C13H16O3/c1-9(2)10-3-5-11(6-4-10)12(14)7-8-13(15)16/h3-6,9H,7-8H2,1-2H3,(H,15,16)
InChIKey CRTBQADLERFRSD-UHFFFAOYSA-N
Molecular Weight 220.268 g/mol
SMILES OC(CCC(c1ccc(cc1)C(C)C)=O)=O
SPLASH splash10-0002-1910000000-273cdbb737b253b63e3e
Source of Spectrum F4-0-3035-3
Synonyms 4-keto-4-p-cumenyl-butyric acid 4-Oxidanylidene-4-(4-propan-2-ylphenyl)butanoic acid 4-Oxo-4-(4-propan-2-ylphenyl)butanoic acid
Wiley ID 1620615