| SpectraBase Spectrum ID |
E3Cd1smjXPg |
| Name |
5-Phenylthio-5-(1',1'-ethylenedioxy-4'-oxo-1',2'-3',4'-tetrahydronaphth-2'-yl)furan-2(5H)-one |
| Alternate Name(s) |
2'-[5-oxo-3-(phenylsulfanyl)-2,5-dihydrofuran-2-yl]-3',4'-dihydro-2'H-spiro[1,3-dioxolane-2,1'-naphthalene]-4'-one |
| Comments |
Less than 3 mono-isotopic peaks |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C22H18O5S |
| InChI |
InChI=1S/C22H18O5S/c23-18-12-17(22(25-10-11-26-22)16-9-5-4-8-15(16)18)21-19(13-20(24)27-21)28-14-6-2-1-3-7-14/h1-9,13,17,21H,10-12H2 |
| InChIKey |
RWWHJCWXYKZIKU-UHFFFAOYSA-N |
| Molecular Weight |
394.441 g/mol |
| SMILES |
C12(C(C3C(=CC(O3)=O)Sc3ccccc3)CC(c3c2cccc3)=O)OCCO1 |
| SPLASH |
splash10-000i-0090000000-bdb34ee9c07de1cad2db |
| Source of Spectrum |
F-53-1833-23 |
| Wiley ID |
800428 |
