| SpectraBase Spectrum ID |
8BVzkidcZ05 |
| Name |
3-(2-Chloro-6-fluorobenzyl)-7-hydroxy-4-propylcoumarin, p-chlorobenzoate |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
484.064442651 u |
| Formula |
C26H19Cl2FO4 |
| InChI |
InChI=1S/C26H19Cl2FO4/c1-2-4-18-19-12-11-17(32-25(30)15-7-9-16(27)10-8-15)13-24(19)33-26(31)20(18)14-21-22(28)5-3-6-23(21)29/h3,5-13H,2,4,14H2,1H3 |
| InChIKey |
SRSHVWGMVHZKGS-UHFFFAOYSA-N |
| Molecular Weight |
485.338 g/mol |
| SMILES |
C=12C=CC(=CC1OC(C(=C2CCC)CC=1C(=CC=CC1F)Cl)=O)OC(C=1C=CC(=CC1)Cl)=O |
| Spectrum/Structure Validation Score (Raman) |
0.84815 |
