| SpectraBase Spectrum ID |
TbTVahjC5P |
| Name |
sn-3-(Trityloxy)-1,2-propanedithiol, cyclic trithiocarbonate |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
408.067628785 u |
| Formula |
C23H20OS3 |
| InChI |
InChI=1S/C23H20OS3/c25-22-26-17-21(27-22)16-24-23(18-10-4-1-5-11-18,19-12-6-2-7-13-19)20-14-8-3-9-15-20/h1-15,21H,16-17H2 |
| InChIKey |
FQTBZCMRMCGBFD-UHFFFAOYSA-N |
| Molecular Weight |
408.592 g/mol |
| SMILES |
C=1(C(C=2C=CC=CC2)(C=2C=CC=CC2)OCC2CSC(S2)=S)C=CC=CC1 |
| Spectrum/Structure Validation Score (Raman) |
0.997997 |
