| SpectraBase Spectrum ID |
1s70V8hdRTc |
| Name |
2-Cyano-N-(2-iodobenzyl)-N-propyl-acetamide |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
342.022908110 u |
| Formula |
C13H15IN2O |
| InChI |
InChI=1S/C13H15IN2O/c1-2-9-16(13(17)7-8-15)10-11-5-3-4-6-12(11)14/h3-6H,2,7,9-10H2,1H3 |
| InChIKey |
LSQFEZWGFOCXBP-UHFFFAOYSA-N |
| Molecular Weight |
342.180 g/mol |
| SMILES |
C(N(CC=1C(I)=CC=CC1)CCC)(CC#N)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.888698 |
