| SpectraBase Spectrum ID |
96k8z8G0rTY |
| Name |
N-[2-[N,N-Dimethylamino)ethyl] 4-[N-methyl-N-(2-methyl-4-nitropbenzyloxycarbonyl)amino]phenylaceamide hydrochloride |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
428.205970013 u |
| Formula |
C22H28N4O5 |
| InChI |
InChI=1S/C22H28N4O5/c1-16-13-20(26(29)30)10-7-18(16)15-31-22(28)25(4)19-8-5-17(6-9-19)14-21(27)23-11-12-24(2)3/h5-10,13H,11-12,14-15H2,1-4H3,(H,23,27) |
| InChIKey |
UWHJBIUMVCMYRD-UHFFFAOYSA-N |
| Molecular Weight |
428.489 g/mol |
| SMILES |
C=1(N(=O)=O)C=C(C)C(=CC1)COC(N(C=1C=CC(CC(=O)NCCN(C)C)=CC1)C)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.926109 |
![N-[2-[N,N-Dimethylamino)ethyl] 4-[N-methyl-N-(2-methyl-4-nitropbenzyloxycarbonyl)amino]phenylaceamide hydrochloride](/api/spectrum/96k8z8G0rTY/structure.png?h=300&w=458 "N-[2-[N,N-Dimethylamino)ethyl] 4-[N-methyl-N-(2-methyl-4-nitropbenzyloxycarbonyl)amino]phenylaceamide hydrochloride")
