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Benzoic acid, 4-methyl-, 2-methylpropyl ester

View entire compound with spectra: 1 NMR, 1 FTIR, and 6 MS (GC)

Benzoic acid, 4-methyl-, 2-methylpropyl ester
SpectraBase Compound ID HV408Xa1XqB
InChI InChI=1S/C12H16O2/c1-9(2)8-14-12(13)11-6-4-10(3)5-7-11/h4-7,9H,8H2,1-3H3
InChIKey IELVQABKIBOBRG-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 EOBKZ1fbl7f
Name Benzoic acid, 4-methyl-, 2-methylpropyl ester
CAS Registry Number 29240-30-0
Copyright Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved.
Formula C12H16O2
InChI InChI=1S/C12H16O2/c1-9(2)8-14-12(13)11-6-4-10(3)5-7-11/h4-7,9H,8H2,1-3H3
InChIKey IELVQABKIBOBRG-UHFFFAOYSA-N
Molecular Weight 192.258 g/mol
SMILES CC(COC(=O)c1ccc(C)cc1)C
SPLASH splash10-014r-6900000000-9373ff0c8275b6275ba8
Synonyms p-Toluic acid, isobutyl ester Isobutyl 4-methylbenzoate 2-Methylpropyl 4-methylbenzoate 4-Methylbenzoic acid 2-methylpropyl ester 4-Methylbenzoic acid isobutyl ester
Wiley ID 1494443