| SpectraBase Spectrum ID |
IkViIiGh97k |
| Name |
1,4-bis(p-Chlorophenyl)-2-phenyl-1,5,6,7-tetrahydro-8-quinolinecarbodithioic acid, methyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
519.064897493 u |
| Formula |
C29H23Cl2NS2 |
| InChI |
InChI=1S/C29H23Cl2NS2/c1-34-29(33)25-9-5-8-24-26(19-10-12-21(30)13-11-19)18-27(20-6-3-2-4-7-20)32(28(24)25)23-16-14-22(31)15-17-23/h2-4,6-7,10-18H,5,8-9H2,1H3 |
| InChIKey |
HLLILVBXFROLSS-UHFFFAOYSA-N |
| Molecular Weight |
520.536 g/mol |
| SMILES |
C1=2CCCC(=C1N(C(=CC2C=1C=CC(=CC1)Cl)C=1C=CC=CC1)C=1C=CC(=CC1)Cl)C(=S)SC |
| Spectrum/Structure Validation Score (Raman) |
0.952828 |
