| SpectraBase Spectrum ID |
I2R7sZTNFn0 |
| Name |
1-(2,6-Diisopropylphenylimino)-6-chlorohex-2-yne |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
289.159727477 u |
| Formula |
C18H24ClN |
| InChI |
InChI=1S/C18H24ClN/c1-14(2)16-10-9-11-17(15(3)4)18(16)20-13-8-6-5-7-12-19/h9-11,13-15H,5,7,12H2,1-4H3/b20-13+ |
| InChIKey |
BAYNVIHJRIRLBX-DEDYPNTBSA-N |
| Molecular Weight |
289.850 g/mol |
| SMILES |
C=1(C(C(C)C)=CC=CC1C(C)C)\N=C\C#CCCCCl |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.911945 |
