| SpectraBase Spectrum ID |
2YGXaikimxc |
| Name |
Dispiro[1-methyladamantane-2,2'-[1,3]dithietane-4',2''-(1''-methyladamantane)] 1,1'-dioxide |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
392.184372616 u |
| Formula |
C22H32O2S2 |
| InChI |
InChI=1S/C22H32O2S2/c1-19-9-13-3-14(10-19)6-17(5-13)21(19)25-22(26(21,23)24)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+ |
| InChIKey |
FUUBCUBMJSUKCI-OMKIGXQYSA-N |
| Molecular Weight |
392.616 g/mol |
| SMILES |
[C@]12(S([C@@]3(S2)C2(CC4CC3CC(C4)C2)C)(=O)=O)C2(CC3CC1CC(C3)C2)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.877447 |
![Dispiro[1-methyladamantane-2,2'-[1,3]dithietane-4',2"-(1"-methyladamantane)] 1,1'-dioxide](/api/spectrum/2YGXaikimxc/structure.png?h=300&w=458 "Dispiro[1-methyladamantane-2,2'-[1,3]dithietane-4',2\"-(1\"-methyladamantane)] 1,1'-dioxide")
