![2-[4-(1-Adamantyl)phenyl]acetonitrile](/api/spectrum/DuYOa2zBCc2/structure.png?h=300&w=458 "2-[4-(1-Adamantyl)phenyl]acetonitrile")
| SpectraBase Compound ID | DpE6rtguO7a |
|---|---|
| InChI | InChI=1S/C18H21N/c19-6-5-13-1-3-17(4-2-13)18-10-14-7-15(11-18)9-16(8-14)12-18/h1-4,14-16H,5,7-12H2 |
| InChIKey | HKOVCJFEAGVFPT-UHFFFAOYSA-N |
| Mol Weight | 251.37 g/mol |
| Molecular Formula | C18H21N |
| Exact Mass | 251.1674 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | DuYOa2zBCc2 |
|---|---|
| Name | 2-[4-(1-Adamantyl)phenyl]acetonitrile |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 251.167399680 u |
| Formula | C18H21N |
| InChI | InChI=1S/C18H21N/c19-6-5-13-1-3-17(4-2-13)18-10-14-7-15(11-18)9-16(8-14)12-18/h1-4,14-16H,5,7-12H2 |
| InChIKey | HKOVCJFEAGVFPT-UHFFFAOYSA-N |
| Molecular Weight | 251.373 g/mol |
| SMILES | C12(C=3C=CC(=CC3)CC#N)CC3CC(C1)CC(C2)C3 |