| SpectraBase Compound ID | JQao11YcEWx |
|---|---|
| InChI | InChI=1S/C17H22/c1-12-3-2-4-16(5-12)17-9-13-6-14(10-17)8-15(7-13)11-17/h2-5,13-15H,6-11H2,1H3 |
| InChIKey | DEDRRRFOMKBUOO-UHFFFAOYSA-N |
| Mol Weight | 226.36 g/mol |
| Molecular Formula | C17H22 |
| Exact Mass | 226.172151 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | AVWehbJxlMV |
|---|---|
| Name | 1-(3-Methylphenyl)adamantane |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 226.172150708 u |
| Formula | C17H22 |
| InChI | InChI=1S/C17H22/c1-12-3-2-4-16(5-12)17-9-13-6-14(10-17)8-15(7-13)11-17/h2-5,13-15H,6-11H2,1H3 |
| InChIKey | DEDRRRFOMKBUOO-UHFFFAOYSA-N |
| Molecular Weight | 226.363 g/mol |
| SMILES | C12(C=3C=C(C)C=CC3)CC3CC(C1)CC(C2)C3 |