| SpectraBase Spectrum ID |
4mPXlwsavjn |
| Name |
2-Bromanyl-N-(3,4-dimethoxyphenyl)-3,4,5-trimethoxy-benzamide |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
425.047400362 u |
| Formula |
C18H20BrNO6 |
| InChI |
InChI=1S/C18H20BrNO6/c1-22-12-7-6-10(8-13(12)23-2)20-18(21)11-9-14(24-3)16(25-4)17(26-5)15(11)19/h6-9H,1-5H3,(H,20,21) |
| InChIKey |
OHJADRFFGIZWFG-UHFFFAOYSA-N |
| Molecular Weight |
426.263 g/mol |
| SMILES |
C=1(C(NC2=CC(OC)=C(C=C2)OC)=O)C(=C(OC)C(=C(C1)OC)OC)Br |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.959261 |
