| SpectraBase Spectrum ID |
4My28AOx1By |
| Name |
(1R,5R)-1,5-Benzodithiepane-3-one 1,5-dioxide |
| Alternate Name(s) |
(1R,5R)-1,5-bis(oxidanylidene)-1,5-benzodithiepin-3-one
(1R,5R)-1,5-diketo-1,5-benzodithiepin-3-one
(1R,5R)-1,5-dioxo-1,5-benzodithiepin-3-one
2H-1,5-benzodithiepin-3(4H)-one 1,5-dioxide
(1R,5R)-1,5-dioxo-1$l^{4},5$l^{4}-benzodithiepin-3-one
(1R,5R)-1,5-bis(oxidanylidene)-1$l^{4},5$l^{4}-benzodithiepin-3-one |
| Comments |
Less than 3 mono-isotopic peaks |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C9H8O3S2 |
| InChI |
InChI=1S/C9H8O3S2/c10-7-5-13(11)8-3-1-2-4-9(8)14(12)6-7/h1-4H,5-6H2 |
| InChIKey |
ZKBLWRRLZIMWNI-UHFFFAOYSA-N |
| Molecular Weight |
228.280 g/mol |
| SMILES |
c12[S@@](CC(C[S@](c2cccc1)=O)=O)=O |
| SPLASH |
splash10-0a4i-0930000000-732222d01a27dd4e1f79 |
| Source of Spectrum |
J-65-3289-1 |
| Wiley ID |
1532251 |
