| SpectraBase Compound ID | AGfvnnqF8sL |
|---|---|
| InChI | InChI=1S/C12H24/c1-3-4-5-9-12-10-7-6-8-11(12)2/h11-12H,3-10H2,1-2H3 |
| InChIKey | NBAUUOZAFSUJPB-UHFFFAOYSA-N |
| Mol Weight | 168.32 g/mol |
| Molecular Formula | C12H24 |
| Exact Mass | 168.187801 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | GtSZWAftlvO |
|---|---|
| Name | Cyclohexane, 1-methyl-2-pentyl- |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 168.187800773 u |
| Formula | C12H24 |
| InChI | InChI=1S/C12H24/c1-3-4-5-9-12-10-7-6-8-11(12)2/h11-12H,3-10H2,1-2H3 |
| InChIKey | NBAUUOZAFSUJPB-UHFFFAOYSA-N |
| Molecular Weight | 168.324 g/mol |
| SMILES | C(CC1C(C)CCCC1)CCC |