SpectraBase Spectrum ID |
E3SviY0CGea |
Name |
Quinoline-1-thiocarboxamide, 1,2,3,4-tetrahydro- |
Comments |
Computed using SmartSpectra Model v1.42 |
Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass |
192.072119568 u |
Formula |
C10H12N2S |
InChI |
InChI=1S/C10H12N2S/c11-10(13)12-7-3-5-8-4-1-2-6-9(8)12/h1-2,4,6H,3,5,7H2,(H2,11,13) |
InChIKey |
HVAIRLQMYATCKN-UHFFFAOYSA-N |
Molecular Weight |
192.280 g/mol |
SMILES |
C1=C2C(N(C(N)=S)CCC2)=CC=C1 |
Spectrum/Structure Validation Score (Vapor Phase IR) |
0.907365 |