![(+/-)-(TRANS)-3-ETHOXY-N-[N'-[(3'-BETA,5'-BETA)-5'-(HYDROXYMETHYL)-THIAN-3'-YL]-CARBAMOYL]-PROPENAMIDE](/api/spectrum/AeJmJ3Cr9eK/structure.png?h=300&w=458 "(+/-)-(TRANS)-3-ETHOXY-N-[N'-[(3'-BETA,5'-BETA)-5'-(HYDROXYMETHYL)-THIAN-3'-YL]-CARBAMOYL]-PROPENAMIDE")
| SpectraBase Compound ID | J7oe3GnXgVo |
|---|---|
| InChI | InChI=1S/C12H20N2O4S/c1-2-18-4-3-11(16)14-12(17)13-10-5-9(6-15)7-19-8-10/h3-4,9-10,15H,2,5-8H2,1H3,(H2,13,14,16,17)/b4-3+/t9-,10-/m1/s1 |
| InChIKey | HGLYOVOPSAFCKE-HIHHVFROSA-N |
| Mol Weight | 288.36 g/mol |
| Molecular Formula | C12H20N2O4S |
| Exact Mass | 288.114378 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | AeJmJ3Cr9eK |
|---|---|
| Name | (+/-)-(TRANS)-3-ETHOXY-N-[N'-[(3'-BETA,5'-BETA)-5'-(HYDROXYMETHYL)-THIAN-3'-YL]-CARBAMOYL]-PROPENAMIDE |
| Compound Number | 8 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C12H20N2O4S |
| InChI | InChI=1S/C12H20N2O4S/c1-2-18-4-3-11(16)14-12(17)13-10-5-9(6-15)7-19-8-10/h3-4,9-10,15H,2,5-8H2,1H3,(H2,13,14,16,17)/b4-3+/t9-,10-/m1/s1 |
| InChIKey | HGLYOVOPSAFCKE-HIHHVFROSA-N |
| Literature Reference Author | P.G.HULTIN,W.A.SZAREK |
| Literature Reference Citation | CAN.J.CHEM.,72,208(1994) |
| Literature Reference DOI | 10.1139/v94-032 |
| Molecular Weight | 288.362 g/mol |
| Solvent | CDCl3 |
| Source File Reference | UWVP3018 |