| SpectraBase Spectrum ID |
5FEqmr8WpoN |
| Name |
2-(2-Bromo-4,5-methylenedioxyphenyl)-N-(3,4-dimethoxyphenethyl)acetamide |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
421.052485743 u |
| Formula |
C19H20BrNO5 |
| InChI |
InChI=1S/C19H20BrNO5/c1-23-15-4-3-12(7-16(15)24-2)5-6-21-19(22)9-13-8-17-18(10-14(13)20)26-11-25-17/h3-4,7-8,10H,5-6,9,11H2,1-2H3,(H,21,22) |
| InChIKey |
QPYKGERPVUVXRR-UHFFFAOYSA-N |
| Molecular Weight |
422.275 g/mol |
| SMILES |
C(CC=1C(=CC2=C(C1)OCO2)Br)(=O)NCCC=1C=C(C(=CC1)OC)OC |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.921558 |
