| SpectraBase Spectrum ID |
Frv3JYMEJ8O |
| Name |
3,11-Dithiatricyclo[11.3.1.15,9]octadeca-1(17),5,7,9(18),13,15-hexaene, 7,18-dimethoxy-, stereoisomer |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
332.090472230 u |
| Formula |
C18H20O2S2 |
| InChI |
InChI=1S/C18H20O2S2/c1-19-17-7-15-11-21-9-13-4-3-5-14(6-13)10-22-12-16(8-17)18(15)20-2/h3-8H,9-12H2,1-2H3 |
| InChIKey |
NXLXJDMDRHYLJX-UHFFFAOYSA-N |
| Molecular Weight |
332.476 g/mol |
| SMILES |
C=12C(=C(CSCC3=CC(CSC2)=CC=C3)C=C(C1)OC)OC |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.844719 |
![3,11-Dithiatricyclo[11.3.1.15,9]octadeca-1(17),5,7,9(18),13,15-hexaene, 7,18-dimethoxy-, stereoisomer](/api/spectrum/Frv3JYMEJ8O/structure.png?h=300&w=458 "3,11-Dithiatricyclo[11.3.1.15,9]octadeca-1(17),5,7,9(18),13,15-hexaene, 7,18-dimethoxy-, stereoisomer")
