| SpectraBase Compound ID | 7aZ7EdL3DF8 |
|---|---|
| InChI | InChI=1S/C21H24O2/c1-21(2,3)15-14-20(22-16-18-10-6-4-7-11-18)23-17-19-12-8-5-9-13-19/h4-13,20H,16-17H2,1-3H3 |
| InChIKey | LXTRALVWOYBJBR-UHFFFAOYSA-N |
| Mol Weight | 308.42 g/mol |
| Molecular Formula | C21H24O2 |
| Exact Mass | 308.17763 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 37053bdnKa3 |
|---|---|
| Name | 1,1-Dibenzyloxy-4,4-dimethyl-2-pentyne |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 308.177630011 u |
| Formula | C21H24O2 |
| InChI | InChI=1S/C21H24O2/c1-21(2,3)15-14-20(22-16-18-10-6-4-7-11-18)23-17-19-12-8-5-9-13-19/h4-13,20H,16-17H2,1-3H3 |
| InChIKey | LXTRALVWOYBJBR-UHFFFAOYSA-N |
| Molecular Weight | 308.421 g/mol |
| SMILES | C(OCC1=CC=CC=C1)(C#CC(C)(C)C)OCC1=CC=CC=C1 |