| SpectraBase Compound ID | IANyyKQr7fl |
|---|---|
| InChI | InChI=1S/C9H12O3S.C4H9N2S/c1-6-4-7(2)9(8(3)5-6)13(10,11)12;1-7(6)4-2-3-5/h4-5H,1-3H3,(H,10,11,12);2,4,6H2,1H3/q;+1/p-1 |
| InChIKey | SNHNKHRULATTNA-UHFFFAOYSA-M |
| Mol Weight | 316.43 g/mol |
| Molecular Formula | C13H20N2O3S2 |
| Exact Mass | 316.091535 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | B973EKrA7Wb |
|---|---|
| Name | SNHNKHRULATTNA-UHFFFAOYSA-M |
| Compound Number | 3A |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C13H20N2O3S2 |
| InChI | InChI=1S/C9H12O3S.C4H9N2S/c1-6-4-7(2)9(8(3)5-6)13(10,11)12;1-7(6)4-2-3-5/h4-5H,1-3H3,(H,10,11,12);2,4,6H2,1H3/q;+1/p-1 |
| InChIKey | SNHNKHRULATTNA-UHFFFAOYSA-M |
| Literature Reference Author | W.FRANEK,P.K.CLAUS |
| Literature Reference Citation | MH.CHEM.,121,539(1990) |
| Literature Reference DOI | 10.1007/BF00810863 |
| Molecular Weight | 316.433 g/mol |
| Solvent | CD3CN |
| Source File Reference | UWED9833 |