| SpectraBase Spectrum ID |
ASenLBaeKow |
| Name |
4(1H)-Isobenzofuranone, hexahydro-1,1-bis(phenylthio)-, cis- |
| Alternate Name(s) |
(3aS,7aR)-1,1-bis(phenylsulfanyl)hexahydro-2-benzofuran-4(1H)-one
1,1-bis(phenylthio)octahydroisobenzofuran-4-one |
| CAS Registry Number |
125847-03-2 |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C20H20O2S2 |
| InChI |
InChI=1S/C20H20O2S2/c21-19-13-7-12-18-17(19)14-22-20(18,23-15-8-3-1-4-9-15)24-16-10-5-2-6-11-16/h1-6,8-11,17-18H,7,12-14H2/t17-,18-/m1/s1 |
| InChIKey |
OQEKPXIEVYKKKX-QZTJIDSGSA-N |
| Molecular Weight |
356.498 g/mol |
| SMILES |
C1([C@]2([C@@](C(=O)CCC2)([H])CO1)[H])(Sc1ccccc1)Sc1ccccc1 |
| SPLASH |
splash10-0ila-6940000000-fddbbe91be686d8d6be8 |
| Source of Spectrum |
J-55-2137-9 |
| Wiley ID |
1345778 |
