| SpectraBase Spectrum ID |
DQIckcH26Po |
| Name |
Pentafluorbenzoic acid-(o-aminophenyl)ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
303.031869250 u |
| Formula |
C13H6F5NO2 |
| InChI |
InChI=1S/C13H6F5NO2/c14-8-7(9(15)11(17)12(18)10(8)16)13(20)21-6-4-2-1-3-5(6)19/h1-4H,19H2 |
| InChIKey |
KLTVNDYQKWKUTL-UHFFFAOYSA-N |
| Molecular Weight |
303.188 g/mol |
| SMILES |
Nc1ccccc1OC(c1c(c(c(c(c1F)F)F)F)F)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.9575 |
