| SpectraBase Compound ID | 6XiicraR8yN |
|---|---|
| InChI | InChI=1S/C21H24O3/c1-19(2,22)10-7-16-13-17(8-11-20(3,4)23)15-18(14-16)9-12-21(5,6)24/h13-15,22-24H,1-6H3 |
| InChIKey | XQAZPCOHIYFVKU-UHFFFAOYSA-N |
| Mol Weight | 324.42 g/mol |
| Molecular Formula | C21H24O3 |
| Exact Mass | 324.172545 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 8NfBdlh471t |
|---|---|
| Name | 1,3,5-Tris(3-hydroxy-3-methylbutynyl)benzene |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 324.172544630 u |
| Formula | C21H24O3 |
| InChI | InChI=1S/C21H24O3/c1-19(2,22)10-7-16-13-17(8-11-20(3,4)23)15-18(14-16)9-12-21(5,6)24/h13-15,22-24H,1-6H3 |
| InChIKey | XQAZPCOHIYFVKU-UHFFFAOYSA-N |
| Molecular Weight | 324.420 g/mol |
| SMILES | OC(C#Cc1cc(cc(C#CC(O)(C)C)c1)C#CC(O)(C)C)(C)C |