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2-(2'-Oxohexyl)benzoic acid

View entire compound with spectra: 2 MS (GC)

2-(2'-Oxohexyl)benzoic acid
SpectraBase Compound ID IduRB5cMNse
InChI InChI=1S/C13H16O3/c1-2-3-7-11(14)9-10-6-4-5-8-12(10)13(15)16/h4-6,8H,2-3,7,9H2,1H3,(H,15,16)
InChIKey KNRXWTJWFLAIHI-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 9xAFZJrKvkY
Name 2-(2-oxohexyl)benzoic acid
Alternate Name(s) 2-(2-oxidanylidenehexyl)benzoic acid
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H16O3
InChI InChI=1S/C13H16O3/c1-2-3-7-11(14)9-10-6-4-5-8-12(10)13(15)16/h4-6,8H,2-3,7,9H2,1H3,(H,15,16)
InChIKey KNRXWTJWFLAIHI-UHFFFAOYSA-N
Molecular Weight 220.268 g/mol
SMILES OC(=O)c1c(CC(CCCC)=O)cccc1
SPLASH splash10-014r-2900000000-da3c88676abe2864ab68
Source of Spectrum Y1-42B-3-2b
Wiley ID 1744215