SpectraBase Spectrum ID |
TEUXFJy2PT |
Name |
5,6,7,8,9,10-Hexahydrocyclohepta[B]quinoline-11-thione |
Comments |
Computed using SmartSpectra Model v1.42 |
Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass |
229.092520661 u |
Formula |
C14H15NS |
InChI |
InChI=1S/C14H15NS/c16-14-10-6-2-1-3-8-12(10)15-13-9-5-4-7-11(13)14/h4-5,7,9H,1-3,6,8H2,(H,15,16) |
InChIKey |
YBOMISGYHLRBLJ-UHFFFAOYSA-N |
Molecular Weight |
229.341 g/mol |
SMILES |
C1=2C(C=3C=CC=CC3NC2CCCCC1)=S |
Spectrum/Structure Validation Score (Vapor Phase IR) |
0.95253 |