![1-[2-(1-Adamantyl)phenyl]adamantane](/api/spectrum/FwKdhTwXsxJ/structure.png?h=300&w=458 "1-[2-(1-Adamantyl)phenyl]adamantane")
| SpectraBase Compound ID | LxmhOXXwm4L |
|---|---|
| InChI | InChI=1S/C26H34/c1-2-4-24(26-14-20-8-21(15-26)10-22(9-20)16-26)23(3-1)25-11-17-5-18(12-25)7-19(6-17)13-25/h1-4,17-22H,5-16H2 |
| InChIKey | DSISFFIKRUIPCD-UHFFFAOYSA-N |
| Mol Weight | 346.6 g/mol |
| Molecular Formula | C26H34 |
| Exact Mass | 346.266051 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | FwKdhTwXsxJ |
|---|---|
| Name | 1-[2-(1-Adamantyl)phenyl]adamantane |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 346.266051095 u |
| Formula | C26H34 |
| InChI | InChI=1S/C26H34/c1-2-4-24(26-14-20-8-21(15-26)10-22(9-20)16-26)23(3-1)25-11-17-5-18(12-25)7-19(6-17)13-25/h1-4,17-22H,5-16H2 |
| InChIKey | DSISFFIKRUIPCD-UHFFFAOYSA-N |
| Molecular Weight | 346.558 g/mol |
| SMILES | C12(C=3C(C45CC6CC(C5)CC(C4)C6)=CC=CC3)CC3CC(C2)CC(C1)C3 |