| SpectraBase Spectrum ID |
BxDA43Op283 |
| Name |
N-[.beta.-(2-Bromo-4,5-dimethoxyphenyl)ethyl]-N-ethoxycarbonyl-3-amino-1-indanone |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
461.083785872 u |
| Formula |
C22H24BrNO5 |
| InChI |
InChI=1S/C22H24BrNO5/c1-4-29-22(26)24(18-13-19(25)16-8-6-5-7-15(16)18)10-9-14-11-20(27-2)21(28-3)12-17(14)23/h5-8,11-12,18H,4,9-10,13H2,1-3H3 |
| InChIKey |
HCBNWFXLBOAFQD-UHFFFAOYSA-N |
| Molecular Weight |
462.340 g/mol |
| SMILES |
C1(N(C(=O)OCC)CCC=2C(=CC(=C(C2)OC)OC)Br)CC(=O)C2=C1C=CC=C2 |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.950258 |
![N-[.beta.-(2-Bromo-4,5-dimethoxyphenyl)ethyl]-N-ethoxycarbonyl-3-amino-1-indanone](/api/spectrum/BxDA43Op283/structure.png?h=300&w=458 "N-[.beta.-(2-Bromo-4,5-dimethoxyphenyl)ethyl]-N-ethoxycarbonyl-3-amino-1-indanone")
