| SpectraBase Compound ID | IS9NL3gu5RS |
|---|---|
| InChI | InChI=1S/C13H20/c1-3-4-5-6-7-13-10-8-12(2)9-11-13/h8-11H,3-7H2,1-2H3 |
| InChIKey | BCJOBVWKIGRZCW-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 | DF8uL9MNVMX |
|---|---|
| Name | 1-Methyl-4-N-hexylbenzene |
| 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/c1-3-4-5-6-7-13-10-8-12(2)9-11-13/h8-11H,3-7H2,1-2H3 |
| InChIKey | BCJOBVWKIGRZCW-UHFFFAOYSA-N |
| Molecular Weight | 176.303 g/mol |
| SMILES | C1=CC(=CC=C1CCCCCC)C |