| SpectraBase Spectrum ID |
EMYj2HxQ5UW |
| Name |
N-(2-Iodo-3,3-dimethylbutyl)-N'-phenacylurea |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
388.064772922 u |
| Formula |
C15H21IN2O2 |
| InChI |
InChI=1S/C15H21IN2O2/c1-15(2,3)13(16)10-18-14(20)17-9-12(19)11-7-5-4-6-8-11/h4-8,13H,9-10H2,1-3H3,(H2,17,18,20) |
| InChIKey |
BIESCYOYEMUTBV-UHFFFAOYSA-N |
| Molecular Weight |
388.249 g/mol |
| SMILES |
C(I)(C(C)(C)C)CNC(=O)NCC(=O)C1=CC=CC=C1 |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.884862 |
