| SpectraBase Spectrum ID |
Agm6rqLvw5U |
| Name |
(1rs,3sr,5sr)-1-Methyl-3-(1-methyl-1-phenylsulfanylethyl)-2,7,8-trioxabicyclo[3.2.1]octane |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
280.113315675 u |
| Formula |
C15H20O3S |
| InChI |
InChI=1S/C15H20O3S/c1-14(2,19-12-7-5-4-6-8-12)13-9-11-10-16-15(3,17-11)18-13/h4-8,11,13H,9-10H2,1-3H3 |
| InChIKey |
FIOUXFAVFMIBND-UHFFFAOYSA-N |
| SMILES |
C12(OC(CC(CO2)O1)C(C)(C)SC1=CC=CC=C1)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.895268 |
![(1rs,3sr,5sr)-1-Methyl-3-(1-methyl-1-phenylsulfanylethyl)-2,7,8-trioxabicyclo[3.2.1]octane](/api/spectrum/Agm6rqLvw5U/structure.png?h=300&w=458 "(1rs,3sr,5sr)-1-Methyl-3-(1-methyl-1-phenylsulfanylethyl)-2,7,8-trioxabicyclo[3.2.1]octane")
