| SpectraBase Spectrum ID |
FTAN117YtrW |
| Name |
2-Iodo-5-methoxy-4'-nitrobiphenyl |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
354.970538183 u |
| Formula |
C13H10INO3 |
| InChI |
InChI=1S/C13H10INO3/c1-18-11-6-7-13(14)12(8-11)9-2-4-10(5-3-9)15(16)17/h2-8H,1H3 |
| InChIKey |
OADFJBHDCXNQHD-UHFFFAOYSA-N |
| Molecular Weight |
355.131 g/mol |
| SMILES |
C=1(C=C(C(I)=CC1)C=1C=CC(=CC1)[N+](=O)[O-])OC |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.806225 |
