| SpectraBase Compound ID | 4YseRuOTfcb |
|---|---|
| InChI | InChI=1S/C13H20/c1-4-11-13(3,5-2)12-9-7-6-8-10-12/h6-10H,4-5,11H2,1-3H3 |
| InChIKey | GIMKIOCRQZVNND-UHFFFAOYSA-N |
| Mol Weight | 176.3 g/mol |
| Molecular Formula | C13H20 |
| Exact Mass | 176.156501 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | Bn9OreOQKRL |
|---|---|
| Name | Benzene, (1-ethyl-1-methylbutyl)- |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 176.156500644 u |
| Formula | C13H20 |
| InChI | InChI=1S/C13H20/c1-4-11-13(3,5-2)12-9-7-6-8-10-12/h6-10H,4-5,11H2,1-3H3 |
| InChIKey | GIMKIOCRQZVNND-UHFFFAOYSA-N |
| Molecular Weight | 176.303 g/mol |
| SMILES | c1(ccccc1)C(CC)(C)CCC |