| SpectraBase Spectrum ID |
DCYsR82M41G |
| Name |
2-Iodo-N-(1,1,1-trifluoro-4-phenylbut-3-yn-2-ylidene)aniline |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
398.973178783 u |
| Formula |
C16H9F3IN |
| InChI |
InChI=1S/C16H9F3IN/c17-16(18,19)15(11-10-12-6-2-1-3-7-12)21-14-9-5-4-8-13(14)20/h1-9H/b21-15- |
| InChIKey |
YLWOWLRPQIJUNE-QNGOZBTKSA-N |
| Molecular Weight |
399.155 g/mol |
| SMILES |
C=1(\N=C/(C(F)(F)F)C#CC=2C=CC=CC2)C(=CC=CC1)I |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.861601 |
