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1,3,4-Trihydroxy-5-oxocyclohexanecarboxylic acid
SpectraBase Compound ID 7mx5caM3YzT
InChI InChI=1S/C7H10O6/c8-3-1-7(13,6(11)12)2-4(9)5(3)10/h3,5,8,10,13H,1-2H2,(H,11,12)
InChIKey WVMWZWGZRAXUBK-UHFFFAOYSA-N
Mol Weight 190.15 g/mol
Molecular Formula C7H10O6
Exact Mass 190.047738 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID FL79CP90Hqb
Name 1,3,4-Trihydroxy-5-oxocyclohexanecarboxylic acid
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C7H10O6
InChI InChI=1S/C7H10O6/c8-3-1-7(13,6(11)12)2-4(9)5(3)10/h3,5,8,10,13H,1-2H2,(H,11,12)
InChIKey WVMWZWGZRAXUBK-UHFFFAOYSA-N
Molecular Weight 190.151 g/mol
SMILES OC1C(CC(C(O)=O)(CC1O)O)=O
SPLASH splash10-0006-9000000000-efac34ab56bf9cdf7d85
Source of Spectrum NP-3-4942-0
Synonyms Cyclohexan-1,4,5-triol-3-one-1-carboxylic acid 1,3,4-trihydroxy-5-oxo-1-cyclohexanecarboxylic acid 1,3,4-trihydroxy-5-oxocyclohexane-1-carboxylic acid 1,3,4-trihydroxy-5-oxo-cyclohexanecarboxylic acid 1,3,4-tris(oxidanyl)-5-oxidanylidene-cyclohexane-1-carboxylic acid
Wiley ID 1102841