| SpectraBase Spectrum ID |
AHzpq8A8ZF5 |
| Name |
8-Chloro-2H-pyrano[3,2-C][1]benzopyran-5-one |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
234.008371782 u |
| Formula |
C12H7ClO3 |
| InChI |
InChI=1S/C12H7ClO3/c13-7-3-4-8-10(6-7)16-12(14)9-2-1-5-15-11(8)9/h1-4,6H,5H2 |
| InChIKey |
JDZBVDDPSSIYGL-UHFFFAOYSA-N |
| Molecular Weight |
234.638 g/mol |
| SMILES |
C12=C(C=3C(=CC(=CC3)Cl)OC1=O)OCC=C2 |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.948663 |
![8-Chloro-2H-pyrano[3,2-c][1]benzopyran-5-one](/api/spectrum/AHzpq8A8ZF5/structure.png?h=300&w=458 "8-Chloro-2H-pyrano[3,2-c][1]benzopyran-5-one")
