| SpectraBase Spectrum ID |
DnCl5XQs9z |
| Name |
N-(2-Iodo-4-nitro-phenyl)carbamic acid tert-butyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
363.992001903 u |
| Formula |
C11H13IN2O4 |
| InChI |
InChI=1S/C11H13IN2O4/c1-11(2,3)18-10(15)13-9-5-4-7(14(16)17)6-8(9)12/h4-6H,1-3H3,(H,13,15) |
| InChIKey |
MCPGEGLMPANJTH-UHFFFAOYSA-N |
| Molecular Weight |
364.139 g/mol |
| SMILES |
C=1(NC(=O)OC(C)(C)C)C(=CC(=CC1)N(=O)=O)I |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.927013 |
