| SpectraBase Spectrum ID |
KALZcNpEek2 |
| Name |
N-[(4S,4as,7as)-5,7-bis(Oxidanylidene)-4,6-diphenyl-4A,7A-dihydro-4H-thiopyrano[2,3-C]pyrrol-2-yl]-N-ethyl-ethanamide |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
406.135113747 u |
| Formula |
C23H22N2O3S |
| InChI |
InChI=1S/C23H22N2O3S/c1-3-24(15(2)26)19-14-18(16-10-6-4-7-11-16)20-21(29-19)23(28)25(22(20)27)17-12-8-5-9-13-17/h4-14,18,20-21H,3H2,1-2H3/t18-,20+,21-/m0/s1 |
| InChIKey |
BZVAJQRGCXRMHL-TYPHKJRUSA-N |
| Molecular Weight |
406.500 g/mol |
| SMILES |
C1(N(C([C@]2(SC(=C[C@]([C@@]12[H])(C1=CC=CC=C1)[H])N(C(=O)C)CC)[H])=O)C1=CC=CC=C1)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.848812 |
![N-[(4S,4aS,7aS)-5,7-bis(oxidanylidene)-4,6-diphenyl-4a,7a-dihydro-4H-thiopyrano[2,3-c]pyrrol-2-yl]-N-ethyl-ethanamide](/api/spectrum/KALZcNpEek2/structure.png?h=300&w=458 "N-[(4S,4aS,7aS)-5,7-bis(oxidanylidene)-4,6-diphenyl-4a,7a-dihydro-4H-thiopyrano[2,3-c]pyrrol-2-yl]-N-ethyl-ethanamide")
