| SpectraBase Compound ID | F9zPVyDrorU |
|---|---|
| InChI | InChI=1S/C13H18/c1-3-5-6-7-13-10-8-12(4-2)9-11-13/h4,8-11H,2-3,5-7H2,1H3 |
| InChIKey | ADOYKPDOFQXKEF-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 | 5QbhAiD3RaH |
|---|---|
| Name | Benzene, 1-pentyl-4-vinyl- |
| 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/c1-3-5-6-7-13-10-8-12(4-2)9-11-13/h4,8-11H,2-3,5-7H2,1H3 |
| InChIKey | ADOYKPDOFQXKEF-UHFFFAOYSA-N |
| Molecular Weight | 174.287 g/mol |
| SMILES | C1=C(CCCCC)C=CC(=C1)C=C |