| SpectraBase Spectrum ID |
mbnwkNMwIZ |
| Name |
6-Hydroxy-4-methyl-3-phenylcoumarin, trifluoroacetate |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
348.060943319 u |
| Formula |
C18H11F3O4 |
| InChI |
InChI=1S/C18H11F3O4/c1-10-13-9-12(24-17(23)18(19,20)21)7-8-14(13)25-16(22)15(10)11-5-3-2-4-6-11/h2-9H,1H3 |
| InChIKey |
JOFBHWXZLJJXOR-UHFFFAOYSA-N |
| Molecular Weight |
348.277 g/mol |
| SMILES |
C1(=CC=CC=C1)C1=C(C)C2=CC(=CC=C2OC1=O)OC(C(F)(F)F)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.924605 |
