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p-toluic acid, butyl ester

View entire compound with spectra: 2 NMR, 2 FTIR, and 6 MS (GC)

p-toluic acid, butyl ester
SpectraBase Compound ID 3J5dZz0xx8d
InChI InChI=1S/C12H16O2/c1-3-4-9-14-12(13)11-7-5-10(2)6-8-11/h5-8H,3-4,9H2,1-2H3
InChIKey UYGHRCCJWWYXMY-UHFFFAOYSA-N
Mol Weight 192.26 g/mol
Molecular Formula C12H16O2
Exact Mass 192.11503 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID I62AnDotglV
Name Benzoic acid, 4-methyl-, butyl ester
Alternate Name(s) p-Toluic acid, butyl ester 4-Methyl-benzoic acid butyl ester 4-Methylbenzoic acid butyl ester Butyl 4-methylbenzoate Butyl p-toluate
CAS Registry Number 19277-56-6
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C12H16O2
InChI InChI=1S/C12H16O2/c1-3-4-9-14-12(13)11-7-5-10(2)6-8-11/h5-8H,3-4,9H2,1-2H3
InChIKey UYGHRCCJWWYXMY-UHFFFAOYSA-N
Literature Reference DOI 10.1002/aoc.1504
Molecular Weight 192.258 g/mol
SMILES C(c1ccc(cc1)C)(=O)OCCCC
SPLASH splash10-014u-2900000000-1a9fd9c6b8a4263d2507
Source of Spectrum AOC-23-239-3h
Wiley ID 1770106