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P-Toluic acid, propyl ester

View entire compound with spectra: 3 NMR, 1 FTIR, and 3 MS (GC)

P-Toluic acid, propyl ester
SpectraBase Compound ID Fr8lsfmTHi6
InChI InChI=1S/C11H14O2/c1-3-8-13-11(12)10-6-4-9(2)5-7-10/h4-7H,3,8H2,1-2H3
InChIKey LRNBWFXCDULFQF-UHFFFAOYSA-N
Mol Weight 178.23 g/mol
Molecular Formula C11H14O2
Exact Mass 178.09938 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID CzSzQTCXpN0
Name Propyl 4-methylbenzoate
Alternate Name(s) 4-Methylbenzoic acid propyl ester Benzoic acid, 4-methyl-, propyl ester
CAS Registry Number 6976-69-8
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C11H14O2
InChI InChI=1S/C11H14O2/c1-3-8-13-11(12)10-6-4-9(2)5-7-10/h4-7H,3,8H2,1-2H3
InChIKey LRNBWFXCDULFQF-UHFFFAOYSA-N
Molecular Weight 178.231 g/mol
SMILES CCCOC(=O)c1ccc(C)cc1
SPLASH splash10-014r-9700000000-a171d7e56e9ffffede17
Wiley ID 1494498