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Benzoic acid, 3,5-dimethyl-, (3,5-dimethylphenyl)methyl ester
SpectraBase Compound ID KiWeGYGR6YT
InChI InChI=1S/C18H20O2/c1-12-5-13(2)8-16(7-12)11-20-18(19)17-9-14(3)6-15(4)10-17/h5-10H,11H2,1-4H3
InChIKey FQXRRJLLIZJQQS-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 HDkYX0im6J2
Name Benzoic acid, 3,5-dimethyl-, (3,5-dimethylphenyl)methyl ester
CAS Registry Number 55000-47-0
Copyright Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved.
Formula C18H20O2
InChI InChI=1S/C18H20O2/c1-12-5-13(2)8-16(7-12)11-20-18(19)17-9-14(3)6-15(4)10-17/h5-10H,11H2,1-4H3
InChIKey FQXRRJLLIZJQQS-UHFFFAOYSA-N
Molecular Weight 268.356 g/mol
SMILES C(c1cc(cc(c1)C)C)(=O)OCc1cc(cc(c1)C)C
SPLASH splash10-001i-0910000000-0088f003805fb9a71eac
Source of Spectrum JX-2015-6-8646
Synonyms 3,5-Dimethylbenzyl 3,5-dimethylbenzoate (3,5-dimethylphenyl)methyl 3,5-dimethylbenzoate 3,5-Dimethylbenzyl-3,5-dimethylbenzoate 3,5-Dimethylbenzoic acid (3,5-dimethylbenzyl) ester 3,5-Dimethylbenzoic acid (3,5-dimethylphenyl)methyl ester
Wiley ID 1730007