| SpectraBase Spectrum ID |
F9T0N14X4lh |
| Name |
Thiethylperazine |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
399.180290294 u |
| Formula |
C22H29N3S2 |
| InChI |
InChI=1S/C22H29N3S2/c1-3-26-18-9-10-22-20(17-18)25(19-7-4-5-8-21(19)27-22)12-6-11-24-15-13-23(2)14-16-24/h4-5,7-10,17H,3,6,11-16H2,1-2H3 |
| InChIKey |
XCTYLCDETUVOIP-UHFFFAOYSA-N |
| Molecular Weight |
399.615 g/mol |
| SMILES |
C=1C=CC2=C(C1)SC1=C(N2CCCN2CCN(CC2)C)C=C(C=C1)SCC |
| Spectrum/Structure Validation Score (Raman) |
0.973087 |
