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2-(3-Formyl-7-methyl-4-oxochroman-2-yl)malononitrile

View entire compound with spectra: 1 FTIR

2-(3-Formyl-7-methyl-4-oxochroman-2-yl)malononitrile
SpectraBase Compound ID JGETbD6fp4S
InChI InChI=1S/C14H10N2O3/c1-8-2-3-10-12(4-8)19-14(9(5-15)6-16)11(7-17)13(10)18/h2-4,7,9,11,14H,1H3
InChIKey RJFLXNLHHHUWPS-UHFFFAOYSA-N
Mol Weight 254.24 g/mol
Molecular Formula C14H10N2O3
Exact Mass 254.069142 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID LqsqsC8wuvu
Name 2-(3-Formyl-7-methyl-4-oxochroman-2-yl)malononitrile
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 254.069142187 u
Formula C14H10N2O3
InChI InChI=1S/C14H10N2O3/c1-8-2-3-10-12(4-8)19-14(9(5-15)6-16)11(7-17)13(10)18/h2-4,7,9,11,14H,1H3
InChIKey RJFLXNLHHHUWPS-UHFFFAOYSA-N
Molecular Weight 254.245 g/mol
SMILES C1=C(C=C2C(=C1)C(C(C(O2)C(C#N)C#N)C=O)=O)C
Spectrum/Structure Validation Score (Vapor Phase IR) 0.812221