| SpectraBase Spectrum ID |
CLD2cLK0G0p |
| Name |
3-Benzylhexahydropyrrolo[1,2-A]pyrazine-1,4-dione, me derivative |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
258.136827826 u |
| Formula |
C15H18N2O2 |
| InChI |
InChI=1S/C15H18N2O2/c1-16-13(10-11-6-3-2-4-7-11)15(19)17-9-5-8-12(17)14(16)18/h2-4,6-7,12-13H,5,8-10H2,1H3 |
| InChIKey |
VESAPQFPVCNWRR-UHFFFAOYSA-N |
| Molecular Weight |
258.321 g/mol |
| SMILES |
C12C(N(C(C(N2CCC1)=O)CC1=CC=CC=C1)C)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.970721 |
![3-Benzylhexahydropyrrolo[1,2-A]pyrazine-1,4-dione, me derivative](/api/spectrum/CLD2cLK0G0p/structure.png?h=300&w=458 "3-Benzylhexahydropyrrolo[1,2-A]pyrazine-1,4-dione, me derivative")
