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3-(2-Hydroxy-5-methylphenyl)-3-oxo-propanenitrile

View entire compound with spectra: 1 MS (GC)

3-(2-Hydroxy-5-methylphenyl)-3-oxo-propanenitrile
SpectraBase Compound ID GLbRDkiADs0
InChI InChI=1S/C10H9NO2/c1-7-2-3-9(12)8(6-7)10(13)4-5-11/h2-3,6,12H,4H2,1H3
InChIKey MOOFBCROVURKAT-UHFFFAOYSA-N
Mol Weight 175.19 g/mol
Molecular Formula C10H9NO2
Exact Mass 175.063329 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 52AAxMl141j
Name 3-(2-Hydroxy-5-methylphenyl)-3-oxo-propanenitrile
Alternate Name(s) 3-(2-hydroxy-5-methylphenyl)-3-oxopropanenitrile 3-(2-hydroxy-5-methyl-phenyl)-3-oxo-propanenitrile 3-(5-Methyl-2-oxidanyl-phenyl)-3-oxidanylidene-propanenitrile
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Formula C10H9NO2
InChI InChI=1S/C10H9NO2/c1-7-2-3-9(12)8(6-7)10(13)4-5-11/h2-3,6,12H,4H2,1H3
InChIKey MOOFBCROVURKAT-UHFFFAOYSA-N
Literature Reference DOI 10.1002/adsc.200700581
Molecular Weight 175.187 g/mol
SMILES Oc1c(cc(cc1)C)C(CC#N)=O
SPLASH splash10-004r-2900000000-a376781254982951ebac
Source of Spectrum ASC-350-817/SM4-2
Wiley ID 1766143