| SpectraBase Spectrum ID |
7RAledfonwQ |
| Name |
(1.beta.,4.beta.,8S*)-1,8-Dimethoxy-8-(methylthiomethyl)-7-oxobicyclo[2.2.2]oct-5-en-2-carbaldehyde |
| Alternate Name(s) |
(1.alpha.,4.alpha.,8S*)-1,8-Dimethoxy-8-(methylthiomethyl)-7-oxobicyclo[2.2.2]oct-5-en-2-carbaldehyde
(1R,4S,8S)-1,8-dimethoxy-8-[(methylsulfanyl)methyl]-7-oxobicyclo[2.2.2]oct-5-ene-2-carbaldehyde |
| Comments |
Less than 3 mono-isotopic peaks |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C13H18O4S |
| InChI |
InChI=1S/C13H18O4S/c1-16-12-5-4-9(6-10(12)7-14)13(17-2,8-18-3)11(12)15/h4-5,7,9-10H,6,8H2,1-3H3/t9-,10?,12-,13+/m1/s1 |
| InChIKey |
PHDNTMBVTGWQOE-KVAMGIGCSA-N |
| Molecular Weight |
270.343 g/mol |
| SMILES |
C1([C@]2(C=C[C@@]([C@@]1(OC)CSC)(CC2C=O)[H])OC)=O |
| SPLASH |
splash10-0006-0900000000-7c57bb3ac9113ba41f77 |
| Source of Spectrum |
KC-0-567-8 |
| Wiley ID |
787505 |
![(1.beta.,4.beta.,8S*)-1,8-Dimethoxy-8-(methylthiomethyl)-7-oxobicyclo[2.2.2]oct-5-en-2-carbaldehyde](/api/spectrum/7RAledfonwQ/structure.png?h=300&w=458 "(1.beta.,4.beta.,8S*)-1,8-Dimethoxy-8-(methylthiomethyl)-7-oxobicyclo[2.2.2]oct-5-en-2-carbaldehyde")
