| SpectraBase Spectrum ID |
6woKtqM6l0y |
| Name |
6-Ethoxy-3-(4-hydroxyphenyl)-4-methylcoumarin, chlorodifluoroacetate |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
408.057607604 u |
| Formula |
C20H15ClF2O5 |
| InChI |
InChI=1S/C20H15ClF2O5/c1-3-26-14-8-9-16-15(10-14)11(2)17(18(24)28-16)12-4-6-13(7-5-12)27-19(25)20(21,22)23/h4-10H,3H2,1-2H3 |
| InChIKey |
CKVCRXBXMPTJNA-UHFFFAOYSA-N |
| Molecular Weight |
408.785 g/mol |
| SMILES |
C1(=CC=C(C=C1)OC(C(F)(F)Cl)=O)C1=C(C)C2=CC(=CC=C2OC1=O)OCC |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.952599 |
