| SpectraBase Compound ID | FLVDphPH4oo |
|---|---|
| InChI | InChI=1S/C10H22/c1-5-7-8-10(4)9(3)6-2/h9-10H,5-8H2,1-4H3 |
| InChIKey | QQCWGAMGBCGAQJ-UHFFFAOYSA-N |
| Mol Weight | 142.29 g/mol |
| Molecular Formula | C10H22 |
| Exact Mass | 142.172151 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 3ecwlKPQL6T |
|---|---|
| Name | Octane, 3,4-dimethyl- |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 142.172150708 u |
| Formula | C10H22 |
| InChI | InChI=1S/C10H22/c1-5-7-8-10(4)9(3)6-2/h9-10H,5-8H2,1-4H3 |
| InChIKey | QQCWGAMGBCGAQJ-UHFFFAOYSA-N |
| Molecular Weight | 142.286 g/mol |
| SMILES | C(C(CCCC)C)(CC)C |