| SpectraBase Compound ID | 7ChqpbrsESo |
|---|---|
| InChI | InChI=1S/C13H22/c1-4-10-6-2-8-12-9-3-7-11(5-1)13(10)12/h10-13H,1-9H2 |
| InChIKey | QGUYWRASKKWRQG-UHFFFAOYSA-N |
| Mol Weight | 178.32 g/mol |
| Molecular Formula | C13H22 |
| Exact Mass | 178.172151 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | BJ5fLKtd0Rb |
|---|---|
| Name | Perhydrophenalene, (3A.alpha., 6A.alpha., 9A.alpha., 9B.beta.)- |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 178.172150708 u |
| Formula | C13H22 |
| InChI | InChI=1S/C13H22/c1-4-10-6-2-8-12-9-3-7-11(5-1)13(10)12/h10-13H,1-9H2 |
| InChIKey | QGUYWRASKKWRQG-UHFFFAOYSA-N |
| Molecular Weight | 178.319 g/mol |
| SMILES | C1CC2C3C(C1)CCCC3CCC2 |