![2-[2-(2-Phenylethynyl)-1-cyclopentenyl]ethynylbenzene](/api/spectrum/2Eu59tP8iYS/structure.png?h=300&w=458 "2-[2-(2-Phenylethynyl)-1-cyclopentenyl]ethynylbenzene")
| SpectraBase Compound ID | 1EnlV1ruSVh |
|---|---|
| InChI | InChI=1S/C21H16/c1-3-8-18(9-4-1)14-16-20-12-7-13-21(20)17-15-19-10-5-2-6-11-19/h1-6,8-11H,7,12-13H2 |
| InChIKey | CSEUAIHZTGJIJL-UHFFFAOYSA-N |
| Mol Weight | 268.36 g/mol |
| Molecular Formula | C21H16 |
| Exact Mass | 268.125201 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 2Eu59tP8iYS |
|---|---|
| Name | 2-[2-(2-Phenylethynyl)-1-cyclopentenyl]ethynylbenzene |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 268.125200515 u |
| Formula | C21H16 |
| InChI | InChI=1S/C21H16/c1-3-8-18(9-4-1)14-16-20-12-7-13-21(20)17-15-19-10-5-2-6-11-19/h1-6,8-11H,7,12-13H2 |
| InChIKey | CSEUAIHZTGJIJL-UHFFFAOYSA-N |
| SMILES | C(#CC=1C=CC=CC1)C1=C(C#CC=2C=CC=CC2)CCC1 |