| SpectraBase Spectrum ID |
AriTni0fERs |
| Name |
(3S,4as,8as)-1-Methyl-3-(phenylmethyl)-3,4,4A,5,6,7,8,8A-octahydroquinoxalin-2-one |
| 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/c1-18-15-10-6-5-9-13(15)17-14(16(18)19)11-12-7-3-2-4-8-12/h2-4,7-8,13-15,17H,5-6,9-11H2,1H3/t13-,14-,15-/m0/s1 |
| InChIKey |
HOMIOWYLJPLWPU-KKUMJFAQSA-N |
| Molecular Weight |
258.365 g/mol |
| SMILES |
C1(N([C@@]2([C@@](N[C@]1(CC1=CC=CC=C1)[H])(CCCC2)[H])[H])C)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.981207 |
