| SpectraBase Spectrum ID |
LMRY54F7mqu |
| Name |
3-Bromanyl-N-(2-iodanylphenyl)-2,5-dimethoxy-N-(methoxymethyl)benzamide |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
504.938566027 u |
| Formula |
C17H17BrINO4 |
| InChI |
InChI=1S/C17H17BrINO4/c1-22-10-20(15-7-5-4-6-14(15)19)17(21)12-8-11(23-2)9-13(18)16(12)24-3/h4-9H,10H2,1-3H3 |
| InChIKey |
RWBZJLKWWTYEPO-UHFFFAOYSA-N |
| Molecular Weight |
506.134 g/mol |
| SMILES |
C=1(C(N(C=2C(I)=CC=CC2)COC)=O)C(=C(Br)C=C(C1)OC)OC |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.824678 |
