| SpectraBase Spectrum ID |
5a8k870wcMK |
| Name |
(9A' R)-7'-Benzyloctahydro-2'-pentyl-spiro(cyclopropane-1,1'-[2H]-pyrazino[1,2-A]pyrazine-3',6',9'-trione |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
369.205241738 u |
| Formula |
C21H27N3O3 |
| InChI |
InChI=1S/C21H27N3O3/c1-2-3-7-12-24-17(25)14-23-18(21(24)10-11-21)19(26)22-16(20(23)27)13-15-8-5-4-6-9-15/h4-6,8-9,16,18H,2-3,7,10-14H2,1H3,(H,22,26)/t16?,18-/m0/s1 |
| InChIKey |
NFJIYGIFZUIHAN-DAFXYXGESA-N |
| Molecular Weight |
369.465 g/mol |
| SMILES |
C12([C@]3(N(C(=O)C(NC3=O)CC3=CC=CC=C3)CC(N2CCCCC)=O)[H])CC1 |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.952354 |
![(9a' R)-7'-Benzyloctahydro-2'-pentyl-spiro(cyclopropane-1,1'-[2H]-pyrazino[1,2-a]pyrazine-3',6',9'-trione](/api/spectrum/5a8k870wcMK/structure.png?h=300&w=458 "(9a' R)-7'-Benzyloctahydro-2'-pentyl-spiro(cyclopropane-1,1'-[2H]-pyrazino[1,2-a]pyrazine-3',6',9'-trione")
