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4-Hydroxy-6-methoxy-3-oxocyclohepta-1,4,6-triene-1-carboxylic acid
SpectraBase Compound ID B6eTsK5TfF4
InChI InChI=1S/C9H8O5/c1-14-6-2-5(9(12)13)3-7(10)8(11)4-6/h2-4H,1H3,(H,10,11)(H,12,13)
InChIKey GAQGHIDXHMMWSC-UHFFFAOYSA-N
Mol Weight 196.16 g/mol
Molecular Formula C9H8O5
Exact Mass 196.037173 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 4SjVwfZKzJQ
Name 4-Hydroxy-6-methoxy-3-oxocyclohepta-1,4,6-triene-1-carboxylic acid
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C9H8O5
InChI InChI=1S/C9H8O5/c1-14-6-2-5(9(12)13)3-7(10)8(11)4-6/h2-4H,1H3,(H,10,11)(H,12,13)
InChIKey GAQGHIDXHMMWSC-UHFFFAOYSA-N
Molecular Weight 196.158 g/mol
SMILES OC=1C(C=C(C(=O)O)C=C(C1)OC)=O
SPLASH splash10-00kb-0900000000-9f17b3fd916173ed5481
Source of Spectrum B-47-203-0
Synonyms 4-Hydroxy-3-keto-6-methoxy-cyclohepta-1,4,6-triene-1-carboxylic acid 4-Hydroxy-6-methoxy-3-oxo-1-cyclohepta-1,4,6-trienecarboxylic acid 4-Hydroxy-6-methoxy-3-oxo-cyclohepta-1,4,6-triene-1-carboxylic acid 6-Methoxy-4-oxidanyl-3-oxidanylidene-cyclohepta-1,4,6-triene-1-carboxylic acid
Wiley ID 1192607