| SpectraBase Compound ID | HBp6cJRfruB |
|---|---|
| InChI | InChI=1S/C17H12/c1-2-16-12-6-7-13-17(16)14-8-11-15-9-4-3-5-10-15/h1,3-7,9-10,12-13H,11H2 |
| InChIKey | VVTIIXMHVGSXID-UHFFFAOYSA-N |
| Mol Weight | 216.28 g/mol |
| Molecular Formula | C17H12 |
| Exact Mass | 216.0939 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | DS5ukG5qzSB |
|---|---|
| Name | 1-Ethynyl-2-(3-phenylprop-1-ynyl)benzene |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 216.093900386 u |
| Formula | C17H12 |
| InChI | InChI=1S/C17H12/c1-2-16-12-6-7-13-17(16)14-8-11-15-9-4-3-5-10-15/h1,3-7,9-10,12-13H,11H2 |
| InChIKey | VVTIIXMHVGSXID-UHFFFAOYSA-N |
| Molecular Weight | 216.283 g/mol |
| SMILES | C1=CC(=C(C=C1)C#C)C#CCC1=CC=CC=C1 |