| SpectraBase Spectrum ID |
Jc2IZA4Xb65 |
| Name |
4-Bromo-3-nitro-N-[3-(trifluoromethyl)phenyl]benzamide, tfa derivative |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
483.949338687 u |
| Formula |
C16H7BrF6N2O4 |
| InChI |
InChI=1S/C16H7BrF6N2O4/c17-11-5-4-8(6-12(11)25(28)29)13(26)24(14(27)16(21,22)23)10-3-1-2-9(7-10)15(18,19)20/h1-7H |
| InChIKey |
PJZFPRMTOYDTJG-UHFFFAOYSA-N |
| Molecular Weight |
485.136 g/mol |
| SMILES |
C(F)(F)(F)C1=CC(=CC=C1)N(C(=O)C1=CC(=C(C=C1)Br)N(=O)=O)C(C(F)(F)F)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.900891 |
![4-Bromo-3-nitro-N-[3-(trifluoromethyl)phenyl]benzamide, tfa derivative](/api/spectrum/Jc2IZA4Xb65/structure.png?h=300&w=458 "4-Bromo-3-nitro-N-[3-(trifluoromethyl)phenyl]benzamide, tfa derivative")
