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2-Formyl-3,4,5-trihydroxybenzoic acid
SpectraBase Compound ID 2LVrk0ArqPz
InChI InChI=1S/C8H6O6/c9-2-4-3(8(13)14)1-5(10)7(12)6(4)11/h1-2,10-12H,(H,13,14)
InChIKey HTSMVAGZIZZMGA-UHFFFAOYSA-N
Mol Weight 198.13 g/mol
Molecular Formula C8H6O6
Exact Mass 198.016438 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID DSeSNGDQEOg
Name 2-Formyl-3,4,5-trihydroxybenzoic acid
CAS Registry Number 82297-94-7
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C8H6O6
InChI InChI=1S/C8H6O6/c9-2-4-3(8(13)14)1-5(10)7(12)6(4)11/h1-2,10-12H,(H,13,14)
InChIKey HTSMVAGZIZZMGA-UHFFFAOYSA-N
Molecular Weight 198.130 g/mol
SMILES Oc1c(c(C(=O)O)cc(c1O)O)C=O
SPLASH splash10-03di-2900000000-d91631e6484f0301eed7
Source of Spectrum W5-1989-34775-30761
Wiley ID 1194902