| SpectraBase Spectrum ID |
8pSEX4pkhh4 |
| Name |
6,7-bis(Trifluoroacetyloxy)coumarin |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
369.991206821 u |
| Formula |
C13H4F6O6 |
| InChI |
InChI=1S/C13H4F6O6/c14-12(15,16)10(21)24-7-3-5-1-2-9(20)23-6(5)4-8(7)25-11(22)13(17,18)19/h1-4H |
| InChIKey |
ORWAMELUISQKAN-UHFFFAOYSA-N |
| Molecular Weight |
370.159 g/mol |
| SMILES |
C1(=C(OC(C(F)(F)F)=O)C=C2C(=C1)OC(=O)C=C2)OC(C(F)(F)F)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.950995 |
