| SpectraBase Spectrum ID |
3M9v2x9ptNn |
| Name |
(3S,9as)-3-Benzyl-2,3,4,6,7,8,9,9A-octahydropyrido[1,2-A]pyrazin-1-one, N-methyl- |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
258.173213335 u |
| Formula |
C16H22N2O |
| InChI |
InChI=1S/C16H22N2O/c1-17-14(11-13-7-3-2-4-8-13)12-18-10-6-5-9-15(18)16(17)19/h2-4,7-8,14-15H,5-6,9-12H2,1H3/t14-,15-/m0/s1 |
| InChIKey |
IKUGWDVJTDUAKN-GJZGRUSLSA-N |
| Molecular Weight |
258.365 g/mol |
| SMILES |
C1=CC=CC=C1C[C@]1(CN2CCCC[C@]2(C(N1C)=O)[H])[H] |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.851426 |
![(3S,9as)-3-Benzyl-2,3,4,6,7,8,9,9A-octahydropyrido[1,2-A]pyrazin-1-one, N-methyl-](/api/spectrum/3M9v2x9ptNn/structure.png?h=300&w=458 "(3S,9as)-3-Benzyl-2,3,4,6,7,8,9,9A-octahydropyrido[1,2-A]pyrazin-1-one, N-methyl-")
