| SpectraBase Compound ID | HwvlDUhEygA |
|---|---|
| InChI | InChI=1S/C22H21NO3S/c1-14-13-17(26-2)18-19(20(14)27-16-11-7-4-8-12-16)22(25)23(21(18)24)15-9-5-3-6-10-15/h3-13,17-20H,1-2H3/t17-,18-,19-,20+/m1/s1 |
| InChIKey | RLEZQFHIURTCMI-WTGUMLROSA-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 | AdgSuUMbVMy |
|---|---|
| Name | N-Phenyl-6-methoxy-4-methyl-3-(phenylthio)cyclohex-4-ene-1,2-dicarbioxamide |
| Alternate Name(s) | (3aS,4R,7R,7aS)-7-Methoxy-5-methyl-2-phenyl-4-phenylsulfanyl-3a,4,7,7a-tetrahydro-isoindole-1,3-dione (3aS,4R,7R,7aS)-7-methoxy-5-methyl-2-phenyl-4-(phenylthio)-3a,4,7,7a-tetrahydroisoindole-1,3-dione (3aS,4R,7R,7aS)-7-methoxy-5-methyl-2-phenyl-4-phenylsulfanyl-3a,4,7,7a-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(26-2)18-19(20(14)27-16-11-7-4-8-12-16)22(25)23(21(18)24)15-9-5-3-6-10-15/h3-13,17-20H,1-2H3/t17-,18-,19-,20+/m1/s1 |
| InChIKey | RLEZQFHIURTCMI-WTGUMLROSA-N |
| Molecular Weight | 379.474 g/mol |
| SMILES | [C@]12([C@](C(=O)N(C2=O)c2ccccc2)([C@](OC)(C=C([C@@]1(Sc1ccccc1)[H])C)[H])[H])[H] |
| SPLASH | splash10-05fr-0902000000-eb01ce66fcb447ece0d3 |
| Source of Spectrum | J-61-5304-28 |
| Wiley ID | 1359302 |