| SpectraBase Compound ID | 7y6hIIo4qRB |
|---|---|
| InChI | InChI=1S/C21H21NO4S2/c23-17-11-13-21(27-18-7-3-1-4-8-18)16(15-17)12-14-22(20(21)24)28(25,26)19-9-5-2-6-10-19/h1-10,16H,11-15H2/t16-,21-/m0/s1 |
| InChIKey | QRIWOCHPSPLICA-KKSFZXQISA-N |
| Mol Weight | 415.52 g/mol |
| Molecular Formula | C21H21NO4S2 |
| Exact Mass | 415.091201 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | 1VDGQVsJqiw |
|---|---|
| Name | 2-Phenylsulfonyl-8a-(Phenylthio)perhydroisoquinolin-1,6-dione |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C21H21NO4S2 |
| InChI | InChI=1S/C21H21NO4S2/c23-17-11-13-21(27-18-7-3-1-4-8-18)16(15-17)12-14-22(20(21)24)28(25,26)19-9-5-2-6-10-19/h1-10,16H,11-15H2/t16-,21-/m0/s1 |
| InChIKey | QRIWOCHPSPLICA-KKSFZXQISA-N |
| Molecular Weight | 415.522 g/mol |
| SMILES | c1(S(N2C([C@]3(Sc4ccccc4)CCC(C[C@@]3(CC2)[H])=O)=O)(=O)=O)ccccc1 |
| SPLASH | splash10-004i-9000000000-65c74f81e30ea325d210 |
| Source of Spectrum | H1-39-289-6 |
| Synonyms | (4aS,8aS)-2-Benzenesulfonyl-8a-phenylsulfanyl-hexahydro-isoquinoline-1,6-dione 8a-(phenylsulfanyl)-2-(phenylsulfonyl)hexahydro-1,6(2H,5H)-isoquinolinedione (4aS,8aS)-2-(benzenesulfonyl)-8a-(phenylthio)-3,4,4a,5,7,8-hexahydroisoquinoline-1,6-dione (4aS,8aS)-2-(benzenesulfonyl)-8a-phenylsulfanyl-3,4,4a,5,7,8-hexahydroisoquinoline-1,6-dione (4aS,8aS)-8a-phenylsulfanyl-2-(phenylsulfonyl)-3,4,4a,5,7,8-hexahydroisoquinoline-1,6-dione |
| Wiley ID | 756796 |