| SpectraBase Spectrum ID |
DkOzcU6uWB9 |
| Name |
Endo-1-[4-(2'-nitrophenyl)-2,3,3A,4,5,9B-hexahydropyrrolo[3,2-C]quinolinin-1-yl]propan-1''-one |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
351.158291545 u |
| Formula |
C20H21N3O3 |
| InChI |
InChI=1S/C20H21N3O3/c1-2-18(24)22-12-11-15-19(14-8-4-6-10-17(14)23(25)26)21-16-9-5-3-7-13(16)20(15)22/h3-10,13,15,19-20H,2,11-12H2,1H3 |
| InChIKey |
RNTYNPDJKXRXGG-UHFFFAOYSA-N |
| Molecular Weight |
351.406 g/mol |
| SMILES |
C1(N=C2C(C3N(CCC13)C(=O)CC)C=CC=C2)C1=C(N(=O)=O)C=CC=C1 |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.944094 |
![Endo-1-[4-(2'-nitrophenyl)-2,3,3A,4,5,9B-hexahydropyrrolo[3,2-C]quinolinin-1-yl]propan-1''-one](/api/spectrum/DkOzcU6uWB9/structure.png?h=300&w=458 "Endo-1-[4-(2'-nitrophenyl)-2,3,3A,4,5,9B-hexahydropyrrolo[3,2-C]quinolinin-1-yl]propan-1''-one")
