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3-formyl-2-hydroxy-5-methyl-benzoic acid
SpectraBase Compound ID JFRiTHPFS0L
InChI InChI=1S/C9H8O4/c1-5-2-6(4-10)8(11)7(3-5)9(12)13/h2-4,11H,1H3,(H,12,13)
InChIKey CNLMEVZLTPWXQO-UHFFFAOYSA-N
Mol Weight 180.16 g/mol
Molecular Formula C9H8O4
Exact Mass 180.042259 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID IWRDJBMFiwo
Name 3-formyl-2-hydroxy-5-methyl-benzoic acid
Alternate Name(s) 3-Methanoyl-5-methyl-2-oxidanyl-benzoic acid
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C9H8O4
InChI InChI=1S/C9H8O4/c1-5-2-6(4-10)8(11)7(3-5)9(12)13/h2-4,11H,1H3,(H,12,13)
InChIKey CNLMEVZLTPWXQO-UHFFFAOYSA-N
Molecular Weight 180.159 g/mol
SMILES Oc1c(C(=O)O)cc(cc1C=O)C
SPLASH splash10-001i-0900000000-52a1b0c3296e38fbdc81
Source of Spectrum SO-0-326-4
Wiley ID 1542173