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Benzoic acid, 2,4-dimethyl-, (3,5-dimethylphenyl)methyl ester
SpectraBase Compound ID 1tRW8t0nlJi
InChI InChI=1S/C18H20O2/c1-12-5-6-17(15(4)8-12)18(19)20-11-16-9-13(2)7-14(3)10-16/h5-10H,11H2,1-4H3
InChIKey NWSZLJZNRSIAFH-UHFFFAOYSA-N
Mol Weight 268.36 g/mol
Molecular Formula C18H20O2
Exact Mass 268.14633 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID F0NqpJTthMj
Name Benzoic acid, 2,4-dimethyl-, (3,5-dimethylphenyl)methyl ester
CAS Registry Number 55000-45-8
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C18H20O2
InChI InChI=1S/C18H20O2/c1-12-5-6-17(15(4)8-12)18(19)20-11-16-9-13(2)7-14(3)10-16/h5-10H,11H2,1-4H3
InChIKey NWSZLJZNRSIAFH-UHFFFAOYSA-N
Molecular Weight 268.356 g/mol
SMILES C(c1c(cc(cc1)C)C)(=O)OCc1cc(cc(c1)C)C
SPLASH splash10-00lr-1910000000-6df5d1db7e0c12859a32
Source of Spectrum JX-2015-6-8645
Synonyms 3,5-Dimethylbenzyl 2,4-dimethylbenzoate (3,5-dimethylphenyl)methyl 2,4-dimethylbenzoate 3,5-Dimethylbenzyl-2,4-dimethylbenzoate 2,4-Dimethylbenzoic acid (3,5-dimethylbenzyl) ester 2,4-Dimethylbenzoic acid (3,5-dimethylphenyl)methyl ester
Wiley ID 1730006