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2,5-Cyclohexadiene-1,4-dione, 2-hydroxy-6-(hydroxymethyl)-3,5-dimethyl-
SpectraBase Compound ID 4JnCK6SNZYT
InChI InChI=1S/C9H10O4/c1-4-6(3-10)9(13)8(12)5(2)7(4)11/h10-11H,3H2,1-2H3
InChIKey NIZXGIRUXUPPCW-UHFFFAOYSA-N
Mol Weight 182.17 g/mol
Molecular Formula C9H10O4
Exact Mass 182.057909 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID HOWgMIVxTsg
Name 2,5-Cyclohexadiene-1,4-dione, 2-hydroxy-6-(hydroxymethyl)-3,5-dimethyl-
CAS Registry Number 22631-97-6
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C9H10O4
InChI InChI=1S/C9H10O4/c1-4-6(3-10)9(13)8(12)5(2)7(4)11/h10-11H,3H2,1-2H3
InChIKey NIZXGIRUXUPPCW-UHFFFAOYSA-N
Molecular Weight 182.175 g/mol
SMILES OC=1C(=C(CO)C(C(C1C)=O)=O)C
SPLASH splash10-001i-9100000000-051a04112805d31b5cee
Source of Spectrum T-68-1483-0
Synonyms 2-Hydroxy-6-(hydroxymethyl)-3,5-dimethylbenzo-1,4-quinone 2,6-Dimethyl-3-hydroxymethyl-5-hydroxy-1,4-benzoquinone 3-(hydroxymethyl)-4,6-dimethyl-5-oxidanyl-cyclohexa-3,5-diene-1,2-dione 4-Hydroxy-3,5-dimethyl-6-methylol-o-benzoquinone 5-Hydroxy-3-(hydroxymethyl)-4,6-dimethyl-1,2-benzoquinone 5-Hydroxy-3-(hydroxymethyl)-4,6-dimethylcyclohexa-3,5-diene-1,2-dione p-Benzoquinone, 2-hydroxy-6-(hydroxymethyl)-3,5-dimethyl- Shanorellin
Wiley ID 18618