| SpectraBase Spectrum ID |
9e1YeyF7LWo |
| Name |
3-(1,4-Diketo-2,3,6,7,8,8A-hexahydropyrrolo[1,2-D]pyrazin-3-yl)propionamide |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
225.111341352 u |
| Formula |
C10H15N3O3 |
| InChI |
InChI=1S/C10H15N3O3/c11-8(14)4-3-6-10(16)13-5-1-2-7(13)9(15)12-6/h6-7H,1-5H2,(H2,11,14)(H,12,15) |
| InChIKey |
GSPPUHIFYJTUJG-UHFFFAOYSA-N |
| Molecular Weight |
225.248 g/mol |
| SMILES |
C1(=O)NC(C(N2C1CCC2)=O)CCC(=O)N |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.980392 |
![3-(1,4-Diketo-2,3,6,7,8,8A-hexahydropyrrolo[1,2-D]pyrazin-3-yl)propionamide](/api/spectrum/9e1YeyF7LWo/structure.png?h=300&w=458 "3-(1,4-Diketo-2,3,6,7,8,8A-hexahydropyrrolo[1,2-D]pyrazin-3-yl)propionamide")
