| SpectraBase Spectrum ID |
IcRwmi6MlPp |
| Name |
Dispiro[1-methyladamantane-2,2'-[1,3]dithietane-4',2''-(1''-methyladamantane)] 1'-oxide |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
376.189457997 u |
| Formula |
C22H32OS2 |
| InChI |
InChI=1S/C22H32OS2/c1-19-9-13-3-14(10-19)6-17(5-13)21(19)24-22(25(21)23)18-7-15-4-16(8-18)12-20(22,2)11-15/h13-18H,3-12H2,1-2H3/t13?,14?,15?,16?,17?,18?,19?,20?,21-,22+,25? |
| InChIKey |
WWPTWGLZIFWQAO-GNIOEADDSA-N |
| Molecular Weight |
376.617 g/mol |
| SMILES |
[C@]12(S([C@@]3(S2)C2(CC4CC3CC(C4)C2)C)=O)C2(CC3CC1CC(C3)C2)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.908231 |
![Dispiro[1-Methyladamantane-2,2'-[1,3]dithietane-4',2"-(1"-methyladamantane)] 1'-oxide](/api/spectrum/IcRwmi6MlPp/structure.png?h=300&w=458 "Dispiro[1-Methyladamantane-2,2'-[1,3]dithietane-4',2\"-(1\"-methyladamantane)] 1'-oxide")
