For citations & permissions, please see: Citations & Permissions - Wiley Science Solutions*

*Links on SpectraBase are not permalinks.
2-Acetyl-3-hydroxy-4-(hydroxycarbonyl)-5-methyl-phenylacetic acid
SpectraBase Compound ID LNPZDWb37LE
InChI InChI=1S/C12H12O6/c1-5-3-7(4-8(14)15)10(6(2)13)11(16)9(5)12(17)18/h3,16H,4H2,1-2H3,(H,14,15)(H,17,18)
InChIKey QZLCUJYTJQPIGE-UHFFFAOYSA-N
Mol Weight 252.22 g/mol
Molecular Formula C12H12O6
Exact Mass 252.063388 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

View the Full Spectrum for FREE!

The full spectrum can only be viewed using a FREE account.

SpectraBase Spectrum ID KwtMEqZG1cs
Name 2-Acetyl-3-hydroxy-4-(hydroxycarbonyl)-5-methyl-phenylacetic acid
CAS Registry Number 102342-57-4
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C12H12O6
InChI InChI=1S/C12H12O6/c1-5-3-7(4-8(14)15)10(6(2)13)11(16)9(5)12(17)18/h3,16H,4H2,1-2H3,(H,14,15)(H,17,18)
InChIKey QZLCUJYTJQPIGE-UHFFFAOYSA-N
Molecular Weight 252.222 g/mol
SMILES OC(Cc1c(c(c(C(=O)O)c(c1)C)O)C(=O)C)=O
SPLASH splash10-0006-9100000000-38f73ac596225330f6cb
Source of Spectrum J-51-2426-10
Synonyms 3-Acetyl-4-(carboxymethyl)-2-hydroxy-6-methylbenzoic acid
Wiley ID 1255178