![5-Amino-3-phenoxy-1-[3-[3-(piperidinomethyl)phenoxy]propyl]carbamoyl-1H-1,2,4-triazole](/api/spectrum/BiiVgdtDu91/structure.png?h=300&w=458 "5-Amino-3-phenoxy-1-[3-[3-(piperidinomethyl)phenoxy]propyl]carbamoyl-1H-1,2,4-triazole")
| SpectraBase Compound ID | Fh3ef87itVE |
|---|---|
| InChI | InChI=1S/C24H30N6O3/c25-22-27-23(33-20-10-3-1-4-11-20)28-30(22)24(31)26-13-8-16-32-21-12-7-9-19(17-21)18-29-14-5-2-6-15-29/h1,3-4,7,9-12,17H,2,5-6,8,13-16,18H2,(H,26,31)(H2,25,27,28) |
| InChIKey | LTOKJLLCGIZJNO-UHFFFAOYSA-N |
| Mol Weight | 450.54 g/mol |
| Molecular Formula | C24H30N6O3 |
| Exact Mass | 450.237939 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | BiiVgdtDu91 |
|---|---|
| Name | 5-Amino-3-phenoxy-1-[3-[3-(piperidinomethyl)phenoxy]propyl]carbamoyl-1H-1,2,4-triazole |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 450.237938847 u |
| Formula | C24H30N6O3 |
| InChI | InChI=1S/C24H30N6O3/c25-22-27-23(33-20-10-3-1-4-11-20)28-30(22)24(31)26-13-8-16-32-21-12-7-9-19(17-21)18-29-14-5-2-6-15-29/h1,3-4,7,9-12,17H,2,5-6,8,13-16,18H2,(H,26,31)(H2,25,27,28) |
| InChIKey | LTOKJLLCGIZJNO-UHFFFAOYSA-N |
| Molecular Weight | 450.543 g/mol |
| SMILES | C1=C(C=C(C=C1)OCCCNC(N1C(=NC(=N1)OC1=CC=CC=C1)N)=O)CN1CCCCC1 |