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 |