![(3aS,4S,6aR)-1,3-dibenzyl-2-keto-3a,4,6,6a-tetrahydrothien[3,4-d]imidazole-4-carbaldehyde](/api/spectrum/8WTbUC32Gsk/structure.png?h=300&w=458 "(3aS,4S,6aR)-1,3-dibenzyl-2-keto-3a,4,6,6a-tetrahydrothien[3,4-d]imidazole-4-carbaldehyde")
| SpectraBase Compound ID | 2nMuS2w56uk |
|---|---|
| InChI | InChI=1S/C20H20N2O2S/c23-13-18-19-17(14-25-18)21(11-15-7-3-1-4-8-15)20(24)22(19)12-16-9-5-2-6-10-16/h1-10,13,17-19H,11-12,14H2/t17-,18+,19-/m0/s1 |
| InChIKey | YASQHYZVPZBTDL-OTWHNJEPSA-N |
| Mol Weight | 352.45 g/mol |
| Molecular Formula | C20H20N2O2S |
| Exact Mass | 352.124549 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | 8WTbUC32Gsk |
|---|---|
| Name | (3aS,4S,6aR)-1,3-dibenzyl-2-keto-3a,4,6,6a-tetrahydrothien[3,4-d]imidazole-4-carbaldehyde |
| Alternate Name(s) | (3aS,4S,6aR)-1,3-dibenzyl-2-oxo-3a,4,6,6a-tetrahydrothieno[3,4-d]imidazole-4-carbaldehyde (3aS,4S,6aR)-1,3-Dibenzyl-4-formyl-1H-tetrahydrothieno[3,4-d]imidazole-2(3H)-one (3aS,4S,6aR)-2-oxidanylidene-1,3-bis(phenylmethyl)-3a,4,6,6a-tetrahydrothieno[3,4-d]imidazole-4-carbaldehyde (3aS,4S,6aR)-2-oxo-1,3-bis(phenylmethyl)-3a,4,6,6a-tetrahydrothieno[3,4-d]imidazole-4-carboxaldehyde (3aS,4S,6aR)-1,3-dibenzyl-2-oxohexahydro-1H-thieno[3,4-d]imidazole-4-carbaldehyde |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C20H20N2O2S |
| InChI | InChI=1S/C20H20N2O2S/c23-13-18-19-17(14-25-18)21(11-15-7-3-1-4-8-15)20(24)22(19)12-16-9-5-2-6-10-16/h1-10,13,17-19H,11-12,14H2/t17-,18+,19-/m0/s1 |
| InChIKey | YASQHYZVPZBTDL-OTWHNJEPSA-N |
| Literature Reference DOI | 10.1002/adsc.200404311 |
| Molecular Weight | 352.452 g/mol |
| SMILES | [C@]12(N(C(N([C@]2(CS[C@@]1(C=O)[H])[H])Cc1ccccc1)=O)Cc1ccccc1)[H] |
| SPLASH | splash10-002f-9081000000-d45d86a17445223dee21 |
| Source of Spectrum | ASC-347-553-7 |
| Wiley ID | 1767879 |