| SpectraBase Spectrum ID |
A0GClkxZjA7 |
| Name |
cis-1-Ethyl-4-(phenylthio)-4A,5,8,8A-tetrahydroquinolin-2-one |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
285.118735409 u |
| Formula |
C17H19NOS |
| InChI |
InChI=1S/C17H19NOS/c1-2-18-15-11-7-6-10-14(15)16(12-17(18)19)20-13-8-4-3-5-9-13/h3-9,12,14-15H,2,10-11H2,1H3/t14-,15+/m0/s1 |
| InChIKey |
AKHAJWTYPNFLFJ-LSDHHAIUSA-N |
| Molecular Weight |
285.405 g/mol |
| SMILES |
C1(=CC(=O)N([C@]2([C@@]1(CC=CC2)[H])[H])CC)SC1=CC=CC=C1 |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.845203 |
