| SpectraBase Spectrum ID |
CPUl48YWZ3H |
| Name |
2,4,5-Trifluoro-3-methoxybenzoic acid, 2-pentyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
276.097328829 u |
| Formula |
C13H15F3O3 |
| InChI |
InChI=1S/C13H15F3O3/c1-4-5-7(2)19-13(17)8-6-9(14)11(16)12(18-3)10(8)15/h6-7H,4-5H2,1-3H3 |
| InChIKey |
JJKLDONKRFXHCR-UHFFFAOYSA-N |
| Molecular Weight |
276.255 g/mol |
| SMILES |
CCCC(OC(C1=C(C(=C(F)C(=C1)F)OC)F)=O)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.923365 |
