| SpectraBase Compound ID | 5otdQkcdWdY |
|---|---|
| InChI | InChI=1S/C12H18N4/c1-8-13-15-16(14-8)12-5-9-2-10(6-12)4-11(3-9)7-12/h9-11H,2-7H2,1H3 |
| InChIKey | CRGPKZFJIJYPAB-UHFFFAOYSA-N |
| Mol Weight | 218.3 g/mol |
| Molecular Formula | C12H18N4 |
| Exact Mass | 218.153147 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 7kEeO3D4fue |
|---|---|
| Name | 2-Adamantan-1-yl-5-methyl-2H-tetrazole |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 218.153146596 u |
| Formula | C12H18N4 |
| InChI | InChI=1S/C12H18N4/c1-8-13-15-16(14-8)12-5-9-2-10(6-12)4-11(3-9)7-12/h9-11H,2-7H2,1H3 |
| InChIKey | CRGPKZFJIJYPAB-UHFFFAOYSA-N |
| Molecular Weight | 218.304 g/mol |
| SMILES | CC1=NN(C23CC4CC(CC(C4)C3)C2)N=N1 |