For citations & permissions, please see: Citations & Permissions - Wiley Science Solutions*

*Links on SpectraBase are not permalinks.

4-(p-Toluoyl)butyric acid

View entire compound with spectra: 1 FTIR, and 2 MS (GC)

4-(p-Toluoyl)butyric acid
SpectraBase Compound ID GVabPZHHZQ6
InChI InChI=1S/C12H14O3/c1-9-5-7-10(8-6-9)11(13)3-2-4-12(14)15/h5-8H,2-4H2,1H3,(H,14,15)
InChIKey MCWLCBLXRSXGTF-UHFFFAOYSA-N
Mol Weight 206.24 g/mol
Molecular Formula C12H14O3
Exact Mass 206.094294 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

View the Full Spectrum for FREE!

The full spectrum can only be viewed using a FREE account.

SpectraBase Spectrum ID B27UbgwllCq
Name 5-(4-Methylphenyl)-5-oxopentanoic acid
Alternate Name(s) 5-(4-Methylphenyl)-5-oxidanylidene-pentanoic acid 5-keto-5-(p-tolyl)valeric acid 5-Oxo-5-(p-tolyl)pentanoic acid Benzenepentanoic acid, 4-methyl-.delta.-oxo-
CAS Registry Number 833-85-2
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C12H14O3
InChI InChI=1S/C12H14O3/c1-9-5-7-10(8-6-9)11(13)3-2-4-12(14)15/h5-8H,2-4H2,1H3,(H,14,15)
InChIKey MCWLCBLXRSXGTF-UHFFFAOYSA-N
Molecular Weight 206.241 g/mol
SMILES OC(=O)CCCC(c1ccc(cc1)C)=O
SPLASH splash10-014i-6900000000-58a87063a0cc9b252816
Wiley ID 1474641