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3-(hydroxymethyl)-4,4-dimethoxy-1-cyclohexa-2,5-dienone
SpectraBase Compound ID 81jxROEaRPz
InChI InChI=1S/C9H12O4/c1-12-9(13-2)4-3-8(11)5-7(9)6-10/h3-5,10H,6H2,1-2H3
InChIKey BYTJORKMTUMWRV-UHFFFAOYSA-N
Mol Weight 184.19 g/mol
Molecular Formula C9H12O4
Exact Mass 184.073559 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID LHxLhXOLa1q
Name 3-(hydroxymethyl)-4,4-dimethoxy-1-cyclohexa-2,5-dienone
Alternate Name(s) 3-(hydroxymethyl)-4,4-dimethoxy-cyclohexa-2,5-dien-1-one 4,4-Dimethoxy-3-methylol-cyclohexa-2,5-dien-1-one
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Formula C9H12O4
InChI InChI=1S/C9H12O4/c1-12-9(13-2)4-3-8(11)5-7(9)6-10/h3-5,10H,6H2,1-2H3
InChIKey BYTJORKMTUMWRV-UHFFFAOYSA-N
Molecular Weight 184.191 g/mol
SMILES OCC=1C(C=CC(C1)=O)(OC)OC
SPLASH splash10-0udi-0900000000-5d852b2436e601b8e6ab
Source of Spectrum SK-2424-3001-7
Wiley ID 866437