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Benzoic acid, 2,4-dimethyl-, (2,5-dimethylphenyl)methyl ester
SpectraBase Compound ID LVqklGyTPMW
InChI InChI=1S/C18H20O2/c1-12-6-8-17(15(4)9-12)18(19)20-11-16-10-13(2)5-7-14(16)3/h5-10H,11H2,1-4H3
InChIKey RARMAAOPLKXGLM-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 4RM88qAfFEH
Name Benzoic acid, 2,4-dimethyl-, (2,5-dimethylphenyl)methyl ester
CAS Registry Number 55000-44-7
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C18H20O2
InChI InChI=1S/C18H20O2/c1-12-6-8-17(15(4)9-12)18(19)20-11-16-10-13(2)5-7-14(16)3/h5-10H,11H2,1-4H3
InChIKey RARMAAOPLKXGLM-UHFFFAOYSA-N
Molecular Weight 268.356 g/mol
SMILES C(c1c(cc(cc1)C)C)(=O)OCc1c(ccc(c1)C)C
SPLASH splash10-014i-1900000000-8bba58c94bb28e145da3
Source of Spectrum JX-2015-6-7803
Synonyms 2,5-Dimethylbenzyl 2,4-dimethylbenzoate (2,5-dimethylphenyl)methyl 2,4-dimethylbenzoate 2,5-Dimethylbenzyl-2,4-dimethylbenzoate 2,4-Dimethylbenzoic acid (2,5-dimethylbenzyl) ester 2,4-Dimethylbenzoic acid (2,5-dimethylphenyl)methyl ester
Wiley ID 1729748