![[3-(1H-1,2,4-triazol-1-yl)-1-adamantyl]acetic acid](/api/spectrum/HHioPuduztO/structure.png?h=300&w=458 "[3-(1H-1,2,4-triazol-1-yl)-1-adamantyl]acetic acid")
| SpectraBase Compound ID | 4GZgRafLQyf |
|---|---|
| InChI | InChI=1S/C14H19N3O2/c18-12(19)6-13-2-10-1-11(3-13)5-14(4-10,7-13)17-9-15-8-16-17/h8-11H,1-7H2,(H,18,19) |
| InChIKey | CMIJPLZEWJHJBD-UHFFFAOYSA-N |
| Mol Weight | 261.32 g/mol |
| Molecular Formula | C14H19N3O2 |
| Exact Mass | 261.147727 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | HHioPuduztO |
|---|---|
| Name | [3-(1H-1,2,4-Triazol-1-yl)-1-adamantyl]acetic acid |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 261.147726862 u |
| Formula | C14H19N3O2 |
| InChI | InChI=1S/C14H19N3O2/c18-12(19)6-13-2-10-1-11(3-13)5-14(4-10,7-13)17-9-15-8-16-17/h8-11H,1-7H2,(H,18,19) |
| InChIKey | CMIJPLZEWJHJBD-UHFFFAOYSA-N |
| Molecular Weight | 261.325 g/mol |
| SMILES | OC(CC12CC3(N4N=CN=C4)CC(C1)CC(C3)C2)=O |