| SpectraBase Spectrum ID |
CCapMlkpl4b |
| Name |
N-(2-Hydroxy-3-bromo-5-chlorobenzylidene)-3-trifluoromethylaniline |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
376.942989070 u |
| Formula |
C14H8BrClF3NO |
| InChI |
InChI=1S/C14H8BrClF3NO/c15-12-6-10(16)4-8(13(12)21)7-20-11-3-1-2-9(5-11)14(17,18)19/h1-7,21H/b20-7+ |
| InChIKey |
UOHJPCAAIANQFM-IFRROFPPSA-N |
| Molecular Weight |
378.576 g/mol |
| SMILES |
Oc1c(\C=N\c2cccc(c2)C(F)(F)F)cc(cc1Br)Cl |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.964948 |
