![2-Methyl-4-methoxy-N-phenyl-3-(phenylthio)-7-azabicyclo[4.3.0]non-1-en-6,8-dione](/api/spectrum/Fb2EA4msL0u/structure.png?h=300&w=458 "2-Methyl-4-methoxy-N-phenyl-3-(phenylthio)-7-azabicyclo[4.3.0]non-1-en-6,8-dione")
| SpectraBase Compound ID | 1vBQClJaX1U |
|---|---|
| InChI | InChI=1S/C22H21NO3S/c1-14-13-17-18(19(26-2)20(14)27-16-11-7-4-8-12-16)22(25)23(21(17)24)15-9-5-3-6-10-15/h3-13,17-20H,1-2H3/t17-,18-,19-,20+/m0/s1 |
| InChIKey | SKHBKPPINYMLOS-LWYYNNOASA-N |
| Mol Weight | 379.47 g/mol |
| Molecular Formula | C22H21NO3S |
| Exact Mass | 379.124215 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | Fb2EA4msL0u |
|---|---|
| Name | 2-Methyl-4-methoxy-N-phenyl-3-(phenylthio)-7-azabicyclo[4.3.0]non-1-en-6,8-dione |
| Alternate Name(s) | (3aS,4S,5R,7aS)-4-Methoxy-6-methyl-2-phenyl-5-phenylsulfanyl-3a,4,5,7a-tetrahydro-isoindole-1,3-dione (3aS,4S,5R,7aS)-4-methoxy-6-methyl-2-phenyl-5-(phenylthio)-3a,4,5,7a-tetrahydroisoindole-1,3-dione (3aS,4S,5R,7aS)-4-methoxy-6-methyl-2-phenyl-5-phenylsulfanyl-3a,4,5,7a-tetrahydroisoindole-1,3-dione |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C22H21NO3S |
| InChI | InChI=1S/C22H21NO3S/c1-14-13-17-18(19(26-2)20(14)27-16-11-7-4-8-12-16)22(25)23(21(17)24)15-9-5-3-6-10-15/h3-13,17-20H,1-2H3/t17-,18-,19-,20+/m0/s1 |
| InChIKey | SKHBKPPINYMLOS-LWYYNNOASA-N |
| Molecular Weight | 379.474 g/mol |
| SMILES | C1(N(C([C@]2(C=C([C@]([C@]([C@@]12[H])(OC)[H])(Sc1ccccc1)[H])C)[H])=O)c1ccccc1)=O |
| SPLASH | splash10-0100-3947000000-ded6775037ed70febd81 |
| Source of Spectrum | J-61-5306-39 |
| Wiley ID | 1359301 |