![Diethyl 2-benzyl-3-([(3-[4-(dimethylamino)phenyl]-1-oxotetrahydro-1H-pyrrolo[1,2-C]imidazol-2(3H)-yl)acetyl]amino)succinate #](/api/spectrum/CYqbAntjH31/structure.png?h=300&w=458 "Diethyl 2-benzyl-3-([(3-[4-(dimethylamino)phenyl]-1-oxotetrahydro-1H-pyrrolo[1,2-C]imidazol-2(3H)-yl)acetyl]amino)succinate #")
| SpectraBase Compound ID | 8Du5t96LvI3 |
|---|---|
| InChI | InChI=1S/C31H40N4O6/c1-5-40-30(38)24(19-21-11-8-7-9-12-21)27(31(39)41-6-2)32-26(36)20-35-28(34-18-10-13-25(34)29(35)37)22-14-16-23(17-15-22)33(3)4/h7-9,11-12,14-17,24-25,27-28H,5-6,10,13,18-20H2,1-4H3,(H,32,36) |
| InChIKey | AUAZUHUVGCNTJY-UHFFFAOYSA-N |
| Mol Weight | 564.7 g/mol |
| Molecular Formula | C31H40N4O6 |
| Exact Mass | 564.294785 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | CYqbAntjH31 |
|---|---|
| Name | Diethyl 2-benzyl-3-([(3-[4-(dimethylamino)phenyl]-1-oxotetrahydro-1H-pyrrolo[1,2-C]imidazol-2(3H)-yl)acetyl]amino)succinate # |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 564.294785018 u |
| Formula | C31H40N4O6 |
| InChI | InChI=1S/C31H40N4O6/c1-5-40-30(38)24(19-21-11-8-7-9-12-21)27(31(39)41-6-2)32-26(36)20-35-28(34-18-10-13-25(34)29(35)37)22-14-16-23(17-15-22)33(3)4/h7-9,11-12,14-17,24-25,27-28H,5-6,10,13,18-20H2,1-4H3,(H,32,36) |
| InChIKey | AUAZUHUVGCNTJY-UHFFFAOYSA-N |
| Molecular Weight | 564.683 g/mol |
| SMILES | C(N1C(=O)C2CCCN2C1C1=CC=C(C=C1)N(C)C)C(=O)NC(C(OCC)=O)C(C(OCC)=O)CC1=CC=CC=C1 |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.934786 |