| SpectraBase Spectrum ID |
BNUSQCZYB9b |
| Name |
1,3-Phenylenediamine, N,N'-di(trifluoroacetyl)-N,N'-dimethyl- |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
328.064646546 u |
| Formula |
C12H10F6N2O2 |
| InChI |
InChI=1S/C12H10F6N2O2/c1-19(9(21)11(13,14)15)7-4-3-5-8(6-7)20(2)10(22)12(16,17)18/h3-6H,1-2H3 |
| InChIKey |
CBOSYIPGUTUUFU-UHFFFAOYSA-N |
| Molecular Weight |
328.214 g/mol |
| SMILES |
C1(=CC(=CC=C1)N(C(C(F)(F)F)=O)C)N(C(C(F)(F)F)=O)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.830297 |
