| SpectraBase Spectrum ID |
EB4OzEjo1jo |
| Name |
6-Chloro-4-hydroxy-2-oxo-N-(3-phenylprop-2-ynoyl)-2H-pyran-3-carboxamide |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
317.009100057 u |
| Formula |
C15H8ClNO5 |
| InChI |
InChI=1S/C15H8ClNO5/c16-11-8-10(18)13(15(21)22-11)14(20)17-12(19)7-6-9-4-2-1-3-5-9/h1-5,8,18H,(H,17,19,20) |
| InChIKey |
CCKLPVPBGJVHID-UHFFFAOYSA-N |
| Molecular Weight |
317.684 g/mol |
| SMILES |
C=1(C(OC(=CC1O)Cl)=O)C(NC(C#CC1=CC=CC=C1)=O)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.896072 |
