| SpectraBase Spectrum ID |
H5LUtiL3YHh |
| Name |
3-Amino-2-(4-chlorophenyl)-1-thioxo-1,2,5,6,7,8-hexahydro-4-isoquinolinecarbonitrile |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
315.059696337 u |
| Formula |
C16H14ClN3S |
| InChI |
InChI=1S/C16H14ClN3S/c17-10-5-7-11(8-6-10)20-15(19)14(9-18)12-3-1-2-4-13(12)16(20)21/h5-8H,1-4,19H2 |
| InChIKey |
WYSGOOTWHINVMQ-UHFFFAOYSA-N |
| Molecular Weight |
315.822 g/mol |
| SMILES |
C1(=S)N(C(=C(C2=C1CCCC2)C#N)N)C1=CC=C(C=C1)Cl |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.807259 |
