SpectraBase Spectrum ID |
Cx76FwRKFaX |
Name |
4-(p-Chlorophenyl)-6-hydroxy-2-oxo-2H-1-benzopyran-3-carboxamide |
Comments |
Computed using SmartSpectra Model v1.42 |
Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass |
315.029835502 u |
Formula |
C16H10ClNO4 |
InChI |
InChI=1S/C16H10ClNO4/c17-9-3-1-8(2-4-9)13-11-7-10(19)5-6-12(11)22-16(21)14(13)15(18)20/h1-7,19H,(H2,18,20) |
InChIKey |
KWDZQCAOGONRPO-UHFFFAOYSA-N |
SMILES |
OC1=CC=2C(=C(C(=O)N)C(OC2C=C1)=O)C=1C=CC(Cl)=CC1 |
Spectrum/Structure Validation Score (Raman) |
0.966242 |