| SpectraBase Compound ID | AQdKs4ciEh6 |
|---|---|
| InChI | InChI=1S/C30H26/c1-29(25-15-7-3-8-16-25,26-17-9-4-10-18-26)23-24-30(2,27-19-11-5-12-20-27)28-21-13-6-14-22-28/h3-22H,1-2H3 |
| InChIKey | MXNMSRJWKFAEKS-UHFFFAOYSA-N |
| Mol Weight | 386.54 g/mol |
| Molecular Formula | C30H26 |
| Exact Mass | 386.203451 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | H89svVO5wJd |
|---|---|
| Name | 2,2,5,5-Tetraphenyl-3-hexyne |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 386.203450837 u |
| Formula | C30H26 |
| InChI | InChI=1S/C30H26/c1-29(25-15-7-3-8-16-25,26-17-9-4-10-18-26)23-24-30(2,27-19-11-5-12-20-27)28-21-13-6-14-22-28/h3-22H,1-2H3 |
| InChIKey | MXNMSRJWKFAEKS-UHFFFAOYSA-N |
| Molecular Weight | 386.538 g/mol |
| SMILES | C(#CC(C1=CC=CC=C1)(C=1C=CC=CC1)C)C(C=1C=CC=CC1)(C=1C=CC=CC1)C |