| SpectraBase Compound ID | 8aqR5IqaGQX |
|---|---|
| InChI | InChI=1S/C13H18/c1-3-4-5-6-7-13-10-8-12(2)9-11-13/h3,8-11H,1,4-7H2,2H3 |
| InChIKey | XLQZKMRSIVFKOV-UHFFFAOYSA-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 | 1II2FqsX4Pw |
|---|---|
| Name | 1-Methyl-4-(1-hexenyl)benzene |
| 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/c1-3-4-5-6-7-13-10-8-12(2)9-11-13/h3,8-11H,1,4-7H2,2H3 |
| InChIKey | XLQZKMRSIVFKOV-UHFFFAOYSA-N |
| SMILES | C(CCCc1ccc(cc1)C)C=C |