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

*Links on SpectraBase are not permalinks.
Benzoic acid, 4-methyl-, (4-methylphenyl)methyl ester
SpectraBase Compound ID 8ikjRahR4a7
InChI InChI=1S/C16H16O2/c1-12-3-7-14(8-4-12)11-18-16(17)15-9-5-13(2)6-10-15/h3-10H,11H2,1-2H3
InChIKey JSMHXVURHYHQGT-UHFFFAOYSA-N
Mol Weight 240.3 g/mol
Molecular Formula C16H16O2
Exact Mass 240.11503 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 MSCeWJMkG2
Name Benzoic acid, 4-methyl-, (4-methylphenyl)methyl ester
CAS Registry Number 21086-87-3
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C16H16O2
InChI InChI=1S/C16H16O2/c1-12-3-7-14(8-4-12)11-18-16(17)15-9-5-13(2)6-10-15/h3-10H,11H2,1-2H3
InChIKey JSMHXVURHYHQGT-UHFFFAOYSA-N
Molecular Weight 240.302 g/mol
SMILES C(c1ccc(cc1)C)(=O)OCc1ccc(cc1)C
SPLASH splash10-066u-1910000000-03831339620ee7b8680a
Source of Spectrum JX-2015-6-7886
Synonyms (4-Methylphenyl)methyl 4-methylbenzoate (4-methylphenyl)methyl p-toluate 4-Methylbenzyl-4-methylbenzoate 4-Methylbenzyl 4-methylbenzoate 4-Methylbenzoic acid (4-methylbenzyl) ester 4-Methylbenzoic acid (4-methylphenyl)methyl ester p-Methylbenzyl p-toluate p-Toluic acid, p-methylbenzyl ester p-Toluic acid, p-xylyl ester p-Tolylmethyl 4-methylbenzoate EINECS 244-206-0
Wiley ID 1729770