| SpectraBase Spectrum ID |
IHdJhbPuJGW |
| Name |
6,15-di-Tert-butyl-9,18-dimethoxy-2,11-dithia[3.3]metacyclophane |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
444.215672745 u |
| Formula |
C26H36O2S2 |
| InChI |
InChI=1S/C26H36O2S2/c1-25(2,3)21-9-17-13-29-15-19-11-22(26(4,5)6)12-20(24(19)28-8)16-30-14-18(10-21)23(17)27-7/h9-12H,13-16H2,1-8H3 |
| InChIKey |
OKOKHOGERKPTDO-UHFFFAOYSA-N |
| Molecular Weight |
444.692 g/mol |
| SMILES |
C12=C(C(CSCC3=C(C(CSC2)=CC(=C3)C(C)(C)C)OC)=CC(=C1)C(C)(C)C)OC |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.960213 |
![6,15-Di-tert-butyl-9,18-dimethoxy-2,11-dithia[3.3]metacyclophane](/api/spectrum/IHdJhbPuJGW/structure.png?h=300&w=458 "6,15-Di-tert-butyl-9,18-dimethoxy-2,11-dithia[3.3]metacyclophane")
