![2-Hexylbicyclo[2.2.1]heptane](/api/spectrum/GIdn4LEkRVN/structure.png?h=300&w=458 "2-Hexylbicyclo[2.2.1]heptane")
| SpectraBase Compound ID | 7IJuUye6fa2 |
|---|---|
| InChI | InChI=1S/C13H24/c1-2-3-4-5-6-12-9-11-7-8-13(12)10-11/h11-13H,2-10H2,1H3/t11-,12-,13-/m0/s1 |
| InChIKey | YFWPGLBKKLNIFT-AVGNSLFASA-N |
| Mol Weight | 180.33 g/mol |
| Molecular Formula | C13H24 |
| Exact Mass | 180.187801 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | GIdn4LEkRVN |
|---|---|
| Name | 2-Hexylbicyclo[2.2.1]heptane |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 180.187800773 u |
| Formula | C13H24 |
| InChI | InChI=1S/C13H24/c1-2-3-4-5-6-12-9-11-7-8-13(12)10-11/h11-13H,2-10H2,1H3/t11-,12-,13-/m0/s1 |
| InChIKey | YFWPGLBKKLNIFT-AVGNSLFASA-N |
| Molecular Weight | 180.335 g/mol |
| SMILES | C1C[C@@]2([C@](C[C@]1(C2)[H])(CCCCCC)[H])[H] |