| SpectraBase Spectrum ID |
4yYcWzlD3AG |
| Name |
25I-Nb3B dehydro artifact P1623 |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
472.948736789 u |
| Formula |
C17H17BrINO2 |
| InChI |
InChI=1S/C17H17BrINO2/c1-21-16-10-15(19)17(22-2)9-13(16)6-7-20-11-12-4-3-5-14(18)8-12/h3-10,20H,11H2,1-2H3/b7-6+ |
| InChIKey |
PGQKRWOHFOORJG-VOTSOKGWSA-N |
| Molecular Weight |
474.136 g/mol |
| SMILES |
C=1C(=C(\C=C\NCC2=CC(=CC=C2)Br)C=C(OC)C1I)OC |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.893478 |
