| SpectraBase Spectrum ID |
8C6VvKxK24m |
| Name |
N-[2-(2-Bromo-4,5-dimethoxyphenyl)ethyl]-2,3-dihydro-3-methylene-1H-isoindol-1-one |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
387.047006441 u |
| Formula |
C19H18BrNO3 |
| InChI |
InChI=1S/C19H18BrNO3/c1-12-14-6-4-5-7-15(14)19(22)21(12)9-8-13-10-17(23-2)18(24-3)11-16(13)20/h4-7,10-11H,1,8-9H2,2-3H3 |
| InChIKey |
JRPAQZMECMTWIB-UHFFFAOYSA-N |
| Molecular Weight |
388.261 g/mol |
| SMILES |
C1(N(C(C=2C=CC=CC12)=C)CCC=1C(=CC(=C(C1)OC)OC)Br)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.940416 |
![N-[2-(2-Bromo-4,5-dimethoxyphenyl)ethyl]-2,3-dihydro-3-methylene-1H-isoindol-1-one](/api/spectrum/8C6VvKxK24m/structure.png?h=300&w=458 "N-[2-(2-Bromo-4,5-dimethoxyphenyl)ethyl]-2,3-dihydro-3-methylene-1H-isoindol-1-one")
