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METHYL-(2,5-DIMETHYL)-BENZOATE
SpectraBase Compound ID CLL7a6tseCq
InChI InChI=1S/C10H12O2/c1-7-4-5-8(2)9(6-7)10(11)12-3/h4-6H,1-3H3
InChIKey YILVOENZHZWHHK-UHFFFAOYSA-N
Mol Weight 164.2 g/mol
Molecular Formula C10H12O2
Exact Mass 164.08373 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID AUroXSiTUBp
Name Benzoic acid, 2,5-dimethyl-, methyl ester
CAS Registry Number 13730-55-7
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C10H12O2
InChI InChI=1S/C10H12O2/c1-7-4-5-8(2)9(6-7)10(11)12-3/h4-6H,1-3H3
InChIKey YILVOENZHZWHHK-UHFFFAOYSA-N
Molecular Weight 164.204 g/mol
SMILES C(OC)(=O)c1c(C)ccc(c1)C
SPLASH splash10-001i-2900000000-e71b8c8be375fdf1f0ea
Source of Spectrum AA-0-1064-3
Synonyms 2,5-(CH3)2-C6H3-COOCH3 Methyl 2,5-dimethylbenzoate 2,5-Dimethylbenzoic acid methyl ester 2,5-Dimethyl-methylbenzoate
Wiley ID 13736