| SpectraBase Spectrum ID |
8Q33xcnALKz |
| Name |
4-Amino-5-bromo-2-(trifluoromethyl)benzonitrile, N,N-diacetyl- |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
347.972124993 u |
| Formula |
C12H8BrF3N2O2 |
| InChI |
InChI=1S/C12H8BrF3N2O2/c1-6(19)18(7(2)20)11-4-9(12(14,15)16)8(5-17)3-10(11)13/h3-4H,1-2H3 |
| InChIKey |
CJFMFYHCPMUORV-UHFFFAOYSA-N |
| Molecular Weight |
349.107 g/mol |
| SMILES |
C(F)(F)(F)C1=C(C=C(C(=C1)N(C(C)=O)C(C)=O)Br)C#N |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.843142 |
