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2-(1-hydroxy-4-keto-cyclohexa-2,5-dien-1-yl)acetonitrile
SpectraBase Compound ID F8qyCRJ5RIg
InChI InChI=1S/C8H7NO2/c9-6-5-8(11)3-1-7(10)2-4-8/h1-4,11H,5H2
InChIKey ALIHIXXODWHXRN-UHFFFAOYSA-N
Mol Weight 149.15 g/mol
Molecular Formula C8H7NO2
Exact Mass 149.047678 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 8CoIuWYJMuY
Name 2-(1-hydroxy-4-keto-cyclohexa-2,5-dien-1-yl)acetonitrile
Alternate Name(s) 2-(1-hydroxy-4-oxo-1-cyclohexa-2,5-dienyl)acetonitrile 2-(1-hydroxy-4-oxo-cyclohexa-2,5-dien-1-yl)acetonitrile 2-(1-oxidanyl-4-oxidanylidene-cyclohexa-2,5-dien-1-yl)ethanenitrile
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Formula C8H7NO2
InChI InChI=1S/C8H7NO2/c9-6-5-8(11)3-1-7(10)2-4-8/h1-4,11H,5H2
InChIKey ALIHIXXODWHXRN-UHFFFAOYSA-N
Molecular Weight 149.149 g/mol
SMILES OC1(CC#N)C=CC(C=C1)=O
SPLASH splash10-0a4i-3900000000-321c1b280780663af62d
Source of Spectrum QE-7-2362-6
Wiley ID 845504