| SpectraBase Spectrum ID |
BM0OoQwcNKB |
| Name |
8-Benzyl-1-(tetrahydropyrrolylcarbonyl)-8-azabicyclo[4.4.0]deca-2-en-4,9-dione |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
352.178692638 u |
| Formula |
C21H24N2O3 |
| InChI |
InChI=1S/C21H24N2O3/c24-18-8-9-21(20(26)22-10-4-5-11-22)13-19(25)23(15-17(21)12-18)14-16-6-2-1-3-7-16/h1-3,6-9,17H,4-5,10-15H2/t17-,21-/m0/s1 |
| InChIKey |
VTRWKKKEESZCER-UWJYYQICSA-N |
| Molecular Weight |
352.434 g/mol |
| SMILES |
[C@@]12(C(N3CCCC3)=O)[C@](CN(CC3=CC=CC=C3)C(C2)=O)(CC(=O)C=C1)[H] |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.959163 |
![8-Benzyl-1-(tetrahydropyrrolylcarbonyl)-8-azabicyclo[4.4.0]deca-2-en-4,9-dione](/api/spectrum/BM0OoQwcNKB/structure.png?h=300&w=458 "8-Benzyl-1-(tetrahydropyrrolylcarbonyl)-8-azabicyclo[4.4.0]deca-2-en-4,9-dione")
