| SpectraBase Compound ID | 2CZVcitg2R0 |
|---|---|
| InChI | InChI=1S/C13H18/c1-5-10(2)12(4)13-9-7-6-8-11(13)3/h6-9H,5H2,1-4H3/b12-10+ |
| InChIKey | LMOYSXDVGNESBC-ZRDIBKRKSA-N |
| Mol Weight | 174.29 g/mol |
| Molecular Formula | C13H18 |
| Exact Mass | 174.140851 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | KEnJGR0G7fa |
|---|---|
| Name | (E)-3-Methyl-2-(2-methylphenyl)-2-pentene |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 174.140850580 u |
| Formula | C13H18 |
| InChI | InChI=1S/C13H18/c1-5-10(2)12(4)13-9-7-6-8-11(13)3/h6-9H,5H2,1-4H3/b12-10+ |
| InChIKey | LMOYSXDVGNESBC-ZRDIBKRKSA-N |
| Molecular Weight | 174.287 g/mol |
| SMILES | C=1(\C(=C\(CC)C)C)C(C)=CC=CC1 |