![(3-DIMETHYLAMINO-5-AMINO-1H-1,2,4-TRIAZOL-1-YL)-N-[3-[3-(PIPERIDINOMETHYL)-PHENOXY]-PROPYL]-THIOAMIDE](/api/spectrum/BnmlE3wSh8l/structure.png?h=300&w=458 "(3-DIMETHYLAMINO-5-AMINO-1H-1,2,4-TRIAZOL-1-YL)-N-[3-[3-(PIPERIDINOMETHYL)-PHENOXY]-PROPYL]-THIOAMIDE")
| SpectraBase Compound ID | 3uwAjijf9mK |
|---|---|
| InChI | InChI=1S/C20H31N7OS/c1-25(2)19-23-18(21)27(24-19)20(29)22-10-7-13-28-17-9-6-8-16(14-17)15-26-11-4-3-5-12-26/h6,8-9,14H,3-5,7,10-13,15H2,1-2H3,(H,22,29)(H2,21,23,24) |
| InChIKey | OYVIYBRQDVXPCB-UHFFFAOYSA-N |
| Mol Weight | 417.58 g/mol |
| Molecular Formula | C20H31N7OS |
| Exact Mass | 417.23108 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | BnmlE3wSh8l |
|---|---|
| Name | (3-DIMETHYLAMINO-5-AMINO-1H-1,2,4-TRIAZOL-1-YL)-N-[3-[3-(PIPERIDINOMETHYL)-PHENOXY]-PROPYL]-THIOAMIDE |
| Compound Number | 3/13 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C20H31N7OS |
| InChI | InChI=1S/C20H31N7OS/c1-25(2)19-23-18(21)27(24-19)20(29)22-10-7-13-28-17-9-6-8-16(14-17)15-26-11-4-3-5-12-26/h6,8-9,14H,3-5,7,10-13,15H2,1-2H3,(H,22,29)(H2,21,23,24) |
| InChIKey | OYVIYBRQDVXPCB-UHFFFAOYSA-N |
| Literature Reference Author | J.BARKOCZY,J.REITER |
| Literature Reference Citation | J.HETCYCL.CHEM.,28,1597(1991) |
| Literature Reference DOI | 10.1002/jhet.5570280624 |
| Molecular Weight | 417.572 g/mol |
| Solvent | CDCl3 |
| Source File Reference | UWCP3723 |