| SpectraBase Compound ID | 1PDvpqoVrzQ |
|---|---|
| InChI | InChI=1S/C17H18/c1-14(2)13-17(15-9-5-3-6-10-15)16-11-7-4-8-12-16/h3-12,17H,1,13H2,2H3 |
| InChIKey | CQWHVQROMSVLQI-UHFFFAOYSA-N |
| Mol Weight | 222.33 g/mol |
| Molecular Formula | C17H18 |
| Exact Mass | 222.140851 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | LidMlOYJrDk |
|---|---|
| Name | (3-Methyl-1-phenyl-but-3-enyl)benzene |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 222.140850580 u |
| Formula | C17H18 |
| InChI | InChI=1S/C17H18/c1-14(2)13-17(15-9-5-3-6-10-15)16-11-7-4-8-12-16/h3-12,17H,1,13H2,2H3 |
| InChIKey | CQWHVQROMSVLQI-UHFFFAOYSA-N |
| Molecular Weight | 222.331 g/mol |
| SMILES | C(CC(=C)C)(C=1C=CC=CC1)C=1C=CC=CC1 |