| SpectraBase Compound ID | LlK979JtTpt |
|---|---|
| InChI | InChI=1S/C16H16/c1-3-9-15(10-4-1)13-7-8-14-16-11-5-2-6-12-16/h1-6,9,11-12,15H,7,10,13H2 |
| InChIKey | ZIKUDLDLRDNFIK-UHFFFAOYSA-N |
| Mol Weight | 208.3 g/mol |
| Molecular Formula | C16H16 |
| Exact Mass | 208.125201 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | jnZYxRsxhR |
|---|---|
| Name | 4-(Cyclohexa-1,3-dien-5-yl)-1-phenylbutyne |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 208.125200515 u |
| Formula | C16H16 |
| InChI | InChI=1S/C16H16/c1-3-9-15(10-4-1)13-7-8-14-16-11-5-2-6-12-16/h1-6,9,11-12,15H,7,10,13H2 |
| InChIKey | ZIKUDLDLRDNFIK-UHFFFAOYSA-N |
| Molecular Weight | 208.304 g/mol |
| SMILES | C(#CCCC1C=CC=CC1)C=1C=CC=CC1 |