| SpectraBase Spectrum ID |
7CmBtpm8sqe |
| Name |
(1S,2S,5R)-5-Methyl-1-trifluoromethyl-2-[(methylphenyl)sulfenyl]-6,8-dioxabicyclo[3.2.1]octane |
| Alternate Name(s) |
(1S,2S,5R)-5-methyl-2-[(2-methylphenyl)sulfanyl]-1-(trifluoromethyl)-6,8-dioxabicyclo[3.2.1]octane |
| Comments |
Less than 3 mono-isotopic peaks |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C15H17F3O2S |
| InChI |
InChI=1S/C15H17F3O2S/c1-10-5-3-4-6-11(10)21-12-7-8-13(2)19-9-14(12,20-13)15(16,17)18/h3-6,12H,7-9H2,1-2H3/t12-,13+,14+/m0/s1 |
| InChIKey |
MKKQYESVDYJUTR-BFHYXJOUSA-N |
| Molecular Weight |
318.354 g/mol |
| SMILES |
[C@]12(C(F)(F)F)O[C@@](C)(OC2)CC[C@@]1(Sc1c(C)cccc1)[H] |
| SPLASH |
splash10-014i-0009000000-8d19a6212d19b9cc39d2 |
| Source of Spectrum |
J-66-8341-7 |
| Wiley ID |
1568688 |
![(1S,2S,5R)-5-Methyl-1-trifluoromethyl-2-[(methylphenyl)sulfenyl]-6,8-dioxabicyclo[3.2.1]octane](/api/spectrum/7CmBtpm8sqe/structure.png?h=300&w=458 "(1S,2S,5R)-5-Methyl-1-trifluoromethyl-2-[(methylphenyl)sulfenyl]-6,8-dioxabicyclo[3.2.1]octane")
