| SpectraBase Compound ID | KmbCDUB30vE |
|---|---|
| InChI | InChI=1S/C20H26/c1-2-4-18-10-19(6-5-17(18)3-1)20-11-14-7-15(12-20)9-16(8-14)13-20/h5-6,10,14-16H,1-4,7-9,11-13H2/t14-,15+,16-,20- |
| InChIKey | SWCJYDWJQXKBJA-BMWJPVITSA-N |
| Mol Weight | 266.43 g/mol |
| Molecular Formula | C20H26 |
| Exact Mass | 266.203451 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | LDzwxGS9M66 |
|---|---|
| Name | 6-(1-Adamantyl)tetralin |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 266.203450837 u |
| Formula | C20H26 |
| InChI | InChI=1S/C20H26/c1-2-4-18-10-19(6-5-17(18)3-1)20-11-14-7-15(12-20)9-16(8-14)13-20/h5-6,10,14-16H,1-4,7-9,11-13H2/t14-,15+,16-,20- |
| InChIKey | SWCJYDWJQXKBJA-BMWJPVITSA-N |
| Molecular Weight | 266.428 g/mol |
| SMILES | C12=C(C=C(C=C2)C23C[C@]4(C[C@](C[C@@](C3)(C4)[H])(C2)[H])[H])CCCC1 |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.8205 |