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Benzoic acid, 3,5-dimethyl-, (2,4-dimethylphenyl)methyl ester
SpectraBase Compound ID 2NfMFhvQSHA
InChI InChI=1S/C18H20O2/c1-12-5-6-16(15(4)8-12)11-20-18(19)17-9-13(2)7-14(3)10-17/h5-10H,11H2,1-4H3
InChIKey IBRBFIYYVTXJDR-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 2HxE2IDUhZQ
Name Benzoic acid, 3,5-dimethyl-, (2,4-dimethylphenyl)methyl ester
CAS Registry Number 55000-46-9
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C18H20O2
InChI InChI=1S/C18H20O2/c1-12-5-6-16(15(4)8-12)11-20-18(19)17-9-13(2)7-14(3)10-17/h5-10H,11H2,1-4H3
InChIKey IBRBFIYYVTXJDR-UHFFFAOYSA-N
Molecular Weight 268.356 g/mol
SMILES C(c1cc(cc(c1)C)C)(=O)OCc1c(cc(cc1)C)C
SPLASH splash10-014i-0900000000-1a644ad662687a159bd9
Source of Spectrum JX-2015-6-7805
Synonyms 2,4-Dimethylbenzyl 3,5-dimethylbenzoate (2,4-dimethylphenyl)methyl 3,5-dimethylbenzoate 2,4-Dimethylbenzyl-3,5dimethylbenzoate 3,5-Dimethylbenzoic acid (2,4-dimethylbenzyl) ester 3,5-Dimethylbenzoic acid (2,4-dimethylphenyl)methyl ester
Wiley ID 1729750