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2,5-Dihydro-3-phenyl-4-methyl-5-oxo-2-furancarbonitrile
SpectraBase Compound ID 8wqbFm9mky1
InChI InChI=1S/C12H9NO2/c1-8-11(9-5-3-2-4-6-9)10(7-13)15-12(8)14/h2-6,10H,1H3
InChIKey PXIDUGOKRJTEDT-UHFFFAOYSA-N
Mol Weight 199.21 g/mol
Molecular Formula C12H9NO2
Exact Mass 199.063329 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID A1x9jiTo022
Name 2,5-Dihydro-3-phenyl-4-methyl-5-oxo-2-furancarbonitrile
Alternate Name(s) 4-Methyl-5-oxo-3-phenyl-2,5-dihydro-2-furancarbonitrile
CAS Registry Number 122949-77-3
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C12H9NO2
InChI InChI=1S/C12H9NO2/c1-8-11(9-5-3-2-4-6-9)10(7-13)15-12(8)14/h2-6,10H,1H3
InChIKey PXIDUGOKRJTEDT-UHFFFAOYSA-N
Molecular Weight 199.209 g/mol
SMILES C1(C(=C(c2ccccc2)C(O1)C#N)C)=O
SPLASH splash10-014i-6900000000-9ddd231faf69bf2f8893
Source of Spectrum J-54-5448-20
Wiley ID 1196775