| SpectraBase Spectrum ID |
4ZI7Ra9VsRO |
| Name |
4-Hydroxycoumarin, chlorodifluoroacetate |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
273.984442663 u |
| Formula |
C11H5ClF2O4 |
| InChI |
InChI=1S/C11H5ClF2O4/c12-11(13,14)10(16)18-8-5-9(15)17-7-4-2-1-3-6(7)8/h1-5H |
| InChIKey |
WHSGGVVZYPKIOO-UHFFFAOYSA-N |
| Molecular Weight |
274.607 g/mol |
| SMILES |
C12=C(C=CC=C2)C(=CC(O1)=O)OC(C(F)(F)Cl)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.988053 |
