| SpectraBase Spectrum ID |
8h6VX9Lf7PN |
| Name |
4-Chloro-3,4'-bicoumarin |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
324.018936466 u |
| Formula |
C18H9ClO4 |
| InChI |
InChI=1S/C18H9ClO4/c19-17-11-6-2-4-8-14(11)23-18(21)16(17)12-9-15(20)22-13-7-3-1-5-10(12)13/h1-9H |
| InChIKey |
AQYGKPMLOJBFNS-UHFFFAOYSA-N |
| Molecular Weight |
324.719 g/mol |
| SMILES |
C1(C=2C3=C(C=CC=C3)OC(C2)=O)=C(C=2C=CC=CC2OC1=O)Cl |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.934001 |
