| SpectraBase Spectrum ID |
B11DpJt2rfR |
| Name |
Methyl 2-(N-pentafluoropropionylamino)benzoate |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
297.042433934 u |
| Formula |
C11H8F5NO3 |
| InChI |
InChI=1S/C11H8F5NO3/c1-20-8(18)6-4-2-3-5-7(6)17-9(19)10(12,13)11(14,15)16/h2-5H,1H3,(H,17,19) |
| InChIKey |
WQHFQGJRFWCNTG-UHFFFAOYSA-N |
| Molecular Weight |
297.181 g/mol |
| SMILES |
C1(=CC=CC=C1C(OC)=O)NC(C(C(F)(F)F)(F)F)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.917208 |
