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4-(2-Chlorophenyl)-7-hydroxy-2-oxochromene-3-carbonitrile
SpectraBase Compound ID 1mESSmnNWcq
InChI InChI=1S/C16H8ClNO3/c17-13-4-2-1-3-10(13)15-11-6-5-9(19)7-14(11)21-16(20)12(15)8-18/h1-7,19H
InChIKey FXDKUBHXDHFWOP-UHFFFAOYSA-N
Mol Weight 297.7 g/mol
Molecular Formula C16H8ClNO3
Exact Mass 297.019271 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID KdIXmhW86ZT
Name 4-(2-Chlorophenyl)-7-hydroxy-2-oxochromene-3-carbonitrile
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 297.019270819 u
Formula C16H8ClNO3
InChI InChI=1S/C16H8ClNO3/c17-13-4-2-1-3-10(13)15-11-6-5-9(19)7-14(11)21-16(20)12(15)8-18/h1-7,19H
InChIKey FXDKUBHXDHFWOP-UHFFFAOYSA-N
Molecular Weight 297.697 g/mol
SMILES C(#N)C=1C(=O)OC2=C(C=CC(=C2)O)C1C1=CC=CC=C1Cl
Spectrum/Structure Validation Score (Vapor Phase IR) 0.876149