| SpectraBase Spectrum ID |
4ZiGDp5Gdm5 |
| Name |
Cinnamyl 2,3,4,5,6-pentafluorobenzoate |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
328.052270343 u |
| Formula |
C16H9F5O2 |
| InChI |
InChI=1S/C16H9F5O2/c17-11-10(12(18)14(20)15(21)13(11)19)16(22)23-8-4-7-9-5-2-1-3-6-9/h1-7H,8H2/b7-4+ |
| InChIKey |
BFBRMCWCAHXHSG-QPJJXVBHSA-N |
| Molecular Weight |
328.238 g/mol |
| SMILES |
C(C=1C(=C(C(=C(C1F)F)F)F)F)(=O)OC\C=C\C=1C=CC=CC1 |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.896793 |
