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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)

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SpectraBase Spectrum ID 68Eq1wLBNrt
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 c1cc(ccc1C(=O)OCc1ccc(cc1)C)C
SPLASH splash10-066u-2910000000-c94a7aca9202930efea7
Source of Spectrum AA-0-1683-1
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 33122