| SpectraBase Spectrum ID |
LK5174szczN |
| Name |
(3S,6R)-3-Benzyl-3,6-dihydro-6-methyl-6-(1'-methylethyl)-5-(N-methyl-N-phenylamino)pyrazin-2(1H)-one |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
349.215412500 u |
| Formula |
C22H27N3O |
| InChI |
InChI=1S/C22H27N3O/c1-16(2)22(3)21(25(4)18-13-9-6-10-14-18)23-19(20(26)24-22)15-17-11-7-5-8-12-17/h5-14,16,19H,15H2,1-4H3,(H,24,26)/t19-,22+/m0/s1 |
| InChIKey |
UOSORUFBJKBFPF-SIKLNZKXSA-N |
| Molecular Weight |
349.478 g/mol |
| SMILES |
C1(=N[C@@](CC=2C=CC=CC2)(C(N[C@@]1(C(C)C)C)=O)[H])N(C1=CC=CC=C1)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.958267 |
