| SpectraBase Compound ID | 99liwyFCgS8 |
|---|---|
| InChI | InChI=1S/C17H19NO3S/c1-10-9-12(21-3)13-14(17(20)18(2)16(13)19)15(10)22-11-7-5-4-6-8-11/h4-9,12-15H,1-3H3/t12-,13-,14-,15+/m1/s1 |
| InChIKey | BJJRKPZKWKMIRB-TUVASFSCSA-N |
| Mol Weight | 317.4 g/mol |
| Molecular Formula | C17H19NO3S |
| Exact Mass | 317.108565 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | 4APlbPQNgnV |
|---|---|
| Name | N-Methyl-6-methoxy-4-methyl-3-(phenylthio)cyclohex-4-ene-1,2-dicarbioxamide |
| Comments | Less than 3 mono-isotopic peaks |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C17H19NO3S |
| InChI | InChI=1S/C17H19NO3S/c1-10-9-12(21-3)13-14(17(20)18(2)16(13)19)15(10)22-11-7-5-4-6-8-11/h4-9,12-15H,1-3H3/t12-,13-,14-,15+/m1/s1 |
| InChIKey | BJJRKPZKWKMIRB-TUVASFSCSA-N |
| Molecular Weight | 317.403 g/mol |
| SMILES | [C@]12([C@](C(=O)N(C2=O)C)([C@](OC)(C=C([C@@]1(Sc1ccccc1)[H])C)[H])[H])[H] |
| SPLASH | splash10-00di-0903000000-9284e3c4108832c5ad6c |
| Source of Spectrum | J-61-5304-28 |
| Synonyms | (3aS,4R,7R,7aS)-7-Methoxy-2,5-dimethyl-4-phenylsulfanyl-3a,4,7,7a-tetrahydro-isoindole-1,3-dione (3aS,4R,7R,7aS)-7-methoxy-2,5-dimethyl-4-(phenylthio)-3a,4,7,7a-tetrahydroisoindole-1,3-dione (3aS,4R,7R,7aS)-7-methoxy-2,5-dimethyl-4-phenylsulfanyl-3a,4,7,7a-tetrahydroisoindole-1,3-dione |
| Wiley ID | 1317651 |