| SpectraBase Spectrum ID |
18uUCH3HyCy |
| Name |
3,5-bis(3,4-Dimethoxyphenethyl)tetrahydro-2H-1,3,5-thiadiazine-2-thione |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
462.164699798 u |
| Formula |
C23H30N2O4S2 |
| InChI |
InChI=1S/C23H30N2O4S2/c1-26-19-7-5-17(13-21(19)28-3)9-11-24-15-25(23(30)31-16-24)12-10-18-6-8-20(27-2)22(14-18)29-4/h5-8,13-14H,9-12,15-16H2,1-4H3 |
| InChIKey |
UKOMXNJCDWIWSI-UHFFFAOYSA-N |
| Molecular Weight |
462.623 g/mol |
| SMILES |
C=1C(=CC=C(C1OC)OC)CCN1CN(C(SC1)=S)CCC=1C=CC(=C(C1)OC)OC |
| Spectrum/Structure Validation Score (Raman) |
0.958163 |
