| SpectraBase Spectrum ID |
K0Je89avGNh |
| Name |
(9A' R)-4'-Benzyl-2'-methyl-7'-2-(methylthio)ethyl]octahydro-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 |
387.161662848 u |
| Formula |
C20H25N3O3S |
| InChI |
InChI=1S/C20H25N3O3S/c1-22-19(26)15(12-13-6-4-3-5-7-13)23-16(20(22)9-10-20)17(24)21-14(18(23)25)8-11-27-2/h3-7,14-16H,8-12H2,1-2H3,(H,21,24)/t14?,15?,16-/m0/s1 |
| InChIKey |
USIBLAOAYSPZAQ-GPANFISMSA-N |
| Molecular Weight |
387.498 g/mol |
| SMILES |
C12([C@]3(N(C(=O)C(NC3=O)CCSC)C(C(N1C)=O)CC=1C=CC=CC1)[H])CC2 |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.944856 |
![(9a' R)-4'-Benzyl-2'-methyl-7'-2-(methylthio)ethyl]octahydro-spiro(cyclopropane-1,1'-[2H]-pyrazino[1,2-a]pyrazine-3',6',9'-trione](/api/spectrum/K0Je89avGNh/structure.png?h=300&w=458 "(9a' R)-4'-Benzyl-2'-methyl-7'-2-(methylthio)ethyl]octahydro-spiro(cyclopropane-1,1'-[2H]-pyrazino[1,2-a]pyrazine-3',6',9'-trione")
