| SpectraBase Compound ID | A0S25VSHiQF |
|---|---|
| InChI | InChI=1S/C13H20/c1-3-4-5-6-9-13-10-7-8-12(2)11-13/h7-8,10-11H,3-6,9H2,1-2H3 |
| InChIKey | VQKSJIPXAXUTKY-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 | 2kJnbYPTlAs |
|---|---|
| Name | Benzene, 1-methyl-3-hexyl- |
| 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/c1-3-4-5-6-9-13-10-7-8-12(2)11-13/h7-8,10-11H,3-6,9H2,1-2H3 |
| InChIKey | VQKSJIPXAXUTKY-UHFFFAOYSA-N |
| Molecular Weight | 176.303 g/mol |
| SMILES | C1(=CC(=CC=C1)C)CCCCCC |