| SpectraBase Spectrum ID |
KLW1ULAt6l |
| Name |
4-Aminobenzoic acid, N,o-bis(trifluoroacetyl)- |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
329.012276619 u |
| Formula |
C11H5F6NO4 |
| InChI |
InChI=1S/C11H5F6NO4/c12-10(13,14)8(20)18-6-3-1-5(2-4-6)7(19)22-9(21)11(15,16)17/h1-4H,(H,18,20) |
| InChIKey |
JHXIHVYKFWOXHJ-UHFFFAOYSA-N |
| Molecular Weight |
329.154 g/mol |
| SMILES |
C1=CC(=CC=C1C(=O)OC(C(F)(F)F)=O)NC(C(F)(F)F)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.953006 |
