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Benzoic acid, 2,5-dimethyl-, (2,5-dimethylphenyl)methyl ester
SpectraBase Compound ID DgsmX2SfcFf
InChI InChI=1S/C18H20O2/c1-12-5-7-14(3)16(9-12)11-20-18(19)17-10-13(2)6-8-15(17)4/h5-10H,11H2,1-4H3
InChIKey VDHISGZEOYKRAR-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 BqQyzbOtRZN
Name Benzoic acid, 2,5-dimethyl-, (2,5-dimethylphenyl)methyl ester
CAS Registry Number 55000-49-2
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C18H20O2
InChI InChI=1S/C18H20O2/c1-12-5-7-14(3)16(9-12)11-20-18(19)17-10-13(2)6-8-15(17)4/h5-10H,11H2,1-4H3
InChIKey VDHISGZEOYKRAR-UHFFFAOYSA-N
Molecular Weight 268.356 g/mol
SMILES C(c1c(ccc(c1)C)C)(=O)OCc1c(ccc(c1)C)C
SPLASH splash10-014i-1900000000-b281995ff8528dc30829
Source of Spectrum JX-2015-6-7804
Synonyms 2,5-Dimethylbenzyl 2,5-dimethylbenzoate (2,5-dimethylphenyl)methyl 2,5-dimethylbenzoate 2,5-Dimethylbenzyl-2,5-dimethylbenzoate 2,5-Dimethylbenzoic acid (2,5-dimethylbenzyl) ester 2,5-Dimethylbenzoic acid (2,5-dimethylphenyl)methyl ester
Wiley ID 1729749