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stipitatic acid
SpectraBase Compound ID 4oFj8wWV916
InChI InChI=1S/C8H6O5/c9-5-1-4(8(12)13)2-6(10)7(11)3-5/h1-3,10-11H,(H,12,13)
InChIKey ZGKNMKBZOSTFCB-UHFFFAOYSA-N
Mol Weight 182.13 g/mol
Molecular Formula C8H6O5
Exact Mass 182.021523 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID CzSYIcdMsWl
Name stipitatic acid
CAS Registry Number 4440-39-5
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C8H6O5
InChI InChI=1S/C8H6O5/c9-5-1-4(8(12)13)2-6(10)7(11)3-5/h1-3,10-11H,(H,12,13)
InChIKey ZGKNMKBZOSTFCB-UHFFFAOYSA-N
Molecular Weight 182.131 g/mol
SMILES OC=1C(=CC(=CC(C1)=O)C(=O)O)O
SPLASH splash10-0f8i-0900000000-5b50fe15f818d4c28e25
Source of Spectrum B-47-203-0
Synonyms 5,6-bis(oxidanyl)-3-oxidanylidene-cyclohepta-1,4,6-triene-1-carboxylic acid 5,6-Dihydroxy-3-keto-cyclohepta-1,4,6-triene-1-carboxylic acid 5,6-Dihydroxy-3-oxo-1-cyclohepta-1,4,6-trienecarboxylic acid 5,6-Dihydroxy-3-oxo-cyclohepta-1,4,6-triene-1-carboxylic acid
Wiley ID 1178017