| SpectraBase Compound ID | DQRDUPcPiT5 |
|---|---|
| InChI | InChI=1S/C13H20/c1-5-6-7-13-11(3)8-10(2)9-12(13)4/h8-9H,5-7H2,1-4H3 |
| InChIKey | WGWIEEZKILSKOQ-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 | AhzTVSk3KIk |
|---|---|
| Name | 2-Butyl-1,3,5-trimethyl-benzene |
| 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/c1-5-6-7-13-11(3)8-10(2)9-12(13)4/h8-9H,5-7H2,1-4H3 |
| InChIKey | WGWIEEZKILSKOQ-UHFFFAOYSA-N |
| Molecular Weight | 176.303 g/mol |
| SMILES | C=1(C(=C(C)C=C(C1)C)CCCC)C |