| SpectraBase Compound ID | 2wwwxtA8NaO |
|---|---|
| InChI | InChI=1S/C17H16/c1-4-10-16(11-5-1)14-8-3-9-15-17-12-6-2-7-13-17/h1-2,4-7,10-13H,8,14-15H2 |
| InChIKey | OMTWFCYPDBNAJE-UHFFFAOYSA-N |
| Mol Weight | 220.31 g/mol |
| Molecular Formula | C17H16 |
| Exact Mass | 220.125201 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | Ki6o41CNYuq |
|---|---|
| Name | 1,5-Diphenylpent-2-yne |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 220.125200515 u |
| Formula | C17H16 |
| InChI | InChI=1S/C17H16/c1-4-10-16(11-5-1)14-8-3-9-15-17-12-6-2-7-13-17/h1-2,4-7,10-13H,8,14-15H2 |
| InChIKey | OMTWFCYPDBNAJE-UHFFFAOYSA-N |
| Molecular Weight | 220.315 g/mol |
| SMILES | C(#CCCC1=CC=CC=C1)CC=1C=CC=CC1 |