| SpectraBase Spectrum ID |
4unSmhvgrQ |
| Name |
2-Methyl-2-[4',10'-dimethyl-7'-isopropenyl-1',3',4'-tetrahydropyranoxy-3',8',10'-tridecatrienyl)-1,3-dithiane |
| Comments |
Note: The molecular formula of the structure shown is C26H42O2S2 - which differs from the formula reported for the mass spectrum (C27H58O2S2) |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C27H58O2S2 |
| InChI |
InChI=1S/C26H42O2S2/c1-21(2)25(23(4)10-6-15-26(5)29-19-8-20-30-26)12-11-22(3)9-7-16-28-24-13-17-27-18-14-24/h9-12,24-25H,1,6-8,13-20H2,2-5H3/b12-11+,22-9-,23-10+ |
| InChIKey |
FMGXYQGRFGPMJW-KYZBNIHZSA-N |
| Molecular Weight |
450.740 g/mol |
| SMILES |
C(\C=C\C(=C/CCOC1CCOCC1)C)(\C(=C\CCC1(SCCCS1)C)C)C(=C)C |
| SPLASH |
splash10-001r-7911000000-f5bc811043de424fdf43 |
| Source of Spectrum |
OP-26-88-12 |
| Wiley ID |
850759 |
