| SpectraBase Spectrum ID |
2pTSeCGOvPU |
| Name |
Diethyl N,N'-[2-(4'-phenylbutyl-N'''-ethoxycarbonyl-3'-aminopropyl)propane-1,3-diyl]-bis[N-(4''-phenylbutyl)]carbamate |
| Comments |
Computed using HOSE algorithm |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
743.487336819 u |
| Formula |
C45H65N3O6 |
| InChI |
InChI=1S/C45H65N3O6/c1-4-52-43(49)46-33-32-41(31-17-16-28-38-22-10-7-11-23-38)42(36-47(44(50)53-5-2)34-20-18-29-39-24-12-8-13-25-39)37-48(45(51)54-6-3)35-21-19-30-40-26-14-9-15-27-40/h7-15,22-27,41-42H,4-6,16-21,28-37H2,1-3H3,(H,46,49) |
| InChIKey |
JSQXNXCHRKFZOJ-UHFFFAOYSA-N |
| Molecular Weight |
744.030 g/mol |
| SMILES |
C(N(CC(CN(C(=O)OCC)CCCCC=1C=CC=CC1)C(CCNC(=O)OCC)CCCCC=1C=CC=CC1)CCCCC=1C=CC=CC1)(=O)OCC |
![Diethyl N,N'-[2-(4'-phenylbutyl-N'"-ethoxycarbonyl-3'-aminopropyl)propane-1,3-diyl]-bis[N-(4"-phenylbutyl)]carbamate](/api/spectrum/2pTSeCGOvPU/structure.png?h=300&w=458 "Diethyl N,N'-[2-(4'-phenylbutyl-N'\"-ethoxycarbonyl-3'-aminopropyl)propane-1,3-diyl]-bis[N-(4\"-phenylbutyl)]carbamate")
