| SpectraBase Spectrum ID |
BH0hRzHlbfe |
| Name |
3-Hydroxy-4-methoxybenzoic acid, o-trifluoroacetyl-, 2,2,3,3-tetrafluoro-1-propyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
378.033820526 u |
| Formula |
C13H9F7O5 |
| InChI |
InChI=1S/C13H9F7O5/c1-23-7-3-2-6(4-8(7)25-11(22)13(18,19)20)9(21)24-5-12(16,17)10(14)15/h2-4,10H,5H2,1H3 |
| InChIKey |
NAONWJXJABRQOH-UHFFFAOYSA-N |
| Molecular Weight |
378.199 g/mol |
| SMILES |
C(C1=CC=C(C(=C1)OC(C(F)(F)F)=O)OC)(=O)OCC(C(F)F)(F)F |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.906492 |
