| SpectraBase Spectrum ID |
KGYuYUTXLiD |
| Name |
2-Benzyloxy-1-iodo-4,6-dinitrobenzene |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
399.955616393 u |
| Formula |
C13H9IN2O5 |
| InChI |
InChI=1S/C13H9IN2O5/c14-13-11(16(19)20)6-10(15(17)18)7-12(13)21-8-9-4-2-1-3-5-9/h1-7H,8H2 |
| InChIKey |
QZVVGADJQJEHSB-UHFFFAOYSA-N |
| Molecular Weight |
400.128 g/mol |
| SMILES |
C=1(C(=CC(=CC1N(=O)=O)N(=O)=O)OCC=1C=CC=CC1)I |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.974252 |
