![(3-PIPERIDINO-5-AMINO-1H-1,2,4-TRIAZOL-1-YL)-N-[3-[3-(PIPERIDINOMETHYL)-PHENOXY]-PROPYL]-THIOAMIDE](/api/spectrum/FrxKKOkOVAG/structure.png?h=300&w=458 "(3-PIPERIDINO-5-AMINO-1H-1,2,4-TRIAZOL-1-YL)-N-[3-[3-(PIPERIDINOMETHYL)-PHENOXY]-PROPYL]-THIOAMIDE")
| SpectraBase Compound ID | KyKVm5e9syB |
|---|---|
| InChI | InChI=1S/C23H35N7OS/c24-21-26-22(29-14-5-2-6-15-29)27-30(21)23(32)25-11-8-16-31-20-10-7-9-19(17-20)18-28-12-3-1-4-13-28/h7,9-10,17H,1-6,8,11-16,18H2,(H,25,32)(H2,24,26,27) |
| InChIKey | GQQMOGZANRPVAU-UHFFFAOYSA-N |
| Mol Weight | 457.6 g/mol |
| Molecular Formula | C23H35N7OS |
| Exact Mass | 457.26238 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | FrxKKOkOVAG |
|---|---|
| Name | (3-PIPERIDINO-5-AMINO-1H-1,2,4-TRIAZOL-1-YL)-N-[3-[3-(PIPERIDINOMETHYL)-PHENOXY]-PROPYL]-THIOAMIDE |
| Compound Number | 3/15 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C23H35N7OS |
| InChI | InChI=1S/C23H35N7OS/c24-21-26-22(29-14-5-2-6-15-29)27-30(21)23(32)25-11-8-16-31-20-10-7-9-19(17-20)18-28-12-3-1-4-13-28/h7,9-10,17H,1-6,8,11-16,18H2,(H,25,32)(H2,24,26,27) |
| InChIKey | GQQMOGZANRPVAU-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 | 457.637 g/mol |
| Solvent | CDCl3 |
| Source File Reference | UWCP3725 |