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3-(3-ketobutyl)benzoic acid
SpectraBase Compound ID 9WyvLmvtwyr
InChI InChI=1S/C11H12O3/c1-8(12)5-6-9-3-2-4-10(7-9)11(13)14/h2-4,7H,5-6H2,1H3,(H,13,14)
InChIKey AMGOUTDTRFGLSH-UHFFFAOYSA-N
Mol Weight 192.21 g/mol
Molecular Formula C11H12O3
Exact Mass 192.078644 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Dh6nExmzpUS
Name 3-(3-ketobutyl)benzoic acid
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C11H12O3
InChI InChI=1S/C11H12O3/c1-8(12)5-6-9-3-2-4-10(7-9)11(13)14/h2-4,7H,5-6H2,1H3,(H,13,14)
InChIKey AMGOUTDTRFGLSH-UHFFFAOYSA-N
Molecular Weight 192.214 g/mol
SMILES OC(c1cc(CCC(=O)C)ccc1)=O
SPLASH splash10-002f-8900000000-63b967816d60e49809b1
Synonyms 3-(3-oxidanylidenebutyl)benzoic acid
Wiley ID 1511925