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2-(7-Chloro-3-formyl-4-oxochroman-2-yl)malononitrile

View entire compound with spectra: 1 FTIR

2-(7-Chloro-3-formyl-4-oxochroman-2-yl)malononitrile
SpectraBase Compound ID KdOP9HqgTpt
InChI InChI=1S/C13H7ClN2O3/c14-8-1-2-9-11(3-8)19-13(7(4-15)5-16)10(6-17)12(9)18/h1-3,6-7,10,13H
InChIKey OVCRYRFLSOLWTM-UHFFFAOYSA-N
Mol Weight 274.66 g/mol
Molecular Formula C13H7ClN2O3
Exact Mass 274.01452 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID KqncHe9hoPO
Name 2-(7-Chloro-3-formyl-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 274.014519790 u
Formula C13H7ClN2O3
InChI InChI=1S/C13H7ClN2O3/c14-8-1-2-9-11(3-8)19-13(7(4-15)5-16)10(6-17)12(9)18/h1-3,6-7,10,13H
InChIKey OVCRYRFLSOLWTM-UHFFFAOYSA-N
SMILES C1=C(C=C2C(=C1)C(C(C(O2)C(C#N)C#N)C=O)=O)Cl
Spectrum/Structure Validation Score (Vapor Phase IR) 0.869442