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3-Cyano-5-methyl-4-phenyl-2(5H)furanone

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3-Cyano-5-methyl-4-phenyl-2(5H)furanone
SpectraBase Compound ID E2cFzEZ8e5W
InChI InChI=1S/C12H9NO2/c1-8-11(9-5-3-2-4-6-9)10(7-13)12(14)15-8/h2-6,8H,1H3
InChIKey QWUSCBNAJZTTBI-UHFFFAOYSA-N
Mol Weight 199.21 g/mol
Molecular Formula C12H9NO2
Exact Mass 199.063329 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID H0o4podwvkY
Name 3-Furancarbonitrile, 2,5-dihydro-5-methyl-2-oxo-4-phenyl-
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 199.063328532 u
Formula C12H9NO2
InChI InChI=1S/C12H9NO2/c1-8-11(9-5-3-2-4-6-9)10(7-13)12(14)15-8/h2-6,8H,1H3
InChIKey QWUSCBNAJZTTBI-UHFFFAOYSA-N
Molecular Weight 199.209 g/mol
SMILES CC1OC(=O)C(=C1C1=CC=CC=C1)C#N
Spectrum/Structure Validation Score (Vapor Phase IR) 0.86513