| SpectraBase Spectrum ID |
A5bp5OvzH3u |
| Name |
6,8-Difluoro-7-ethoxy-4-methylcoumarin |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
240.059800505 u |
| Formula |
C12H10F2O3 |
| InChI |
InChI=1S/C12H10F2O3/c1-3-16-12-8(13)5-7-6(2)4-9(15)17-11(7)10(12)14/h4-5H,3H2,1-2H3 |
| InChIKey |
ASMDJZQBUMWFIL-UHFFFAOYSA-N |
| Molecular Weight |
240.206 g/mol |
| SMILES |
C1(F)=C2C(=CC(=C1OCC)F)C(=CC(O2)=O)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.925998 |
