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2,3-Dimethylbenzoic acid
SpectraBase Compound ID FISjDR85wuG
InChI InChI=1S/C9H10O2/c1-6-4-3-5-8(7(6)2)9(10)11/h3-5H,1-2H3,(H,10,11)
InChIKey RIZUCYSQUWMQLX-UHFFFAOYSA-N
Mol Weight 150.18 g/mol
Molecular Formula C9H10O2
Exact Mass 150.06808 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 9hLNijA1WPT
Name Benzoic acid, 2,3-dimethyl-
CAS Registry Number 603-79-2
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C9H10O2
InChI InChI=1S/C9H10O2/c1-6-4-3-5-8(7(6)2)9(10)11/h3-5H,1-2H3,(H,10,11)
InChIKey RIZUCYSQUWMQLX-UHFFFAOYSA-N
Molecular Weight 150.177 g/mol
SMILES OC(=O)c1c(C)c(C)ccc1
SPLASH splash10-0ue9-7900000000-905bc25b19bd48b79870
Source of Spectrum AA-0-882-3
Synonyms 2,3-Dimethylbenzoic acid Hemellitic acid BRN 0971590 EINECS 210-058-0 NSC 407533
Wiley ID 9994