| SpectraBase Compound ID | CGa9SyPQGry |
|---|---|
| InChI | InChI=1S/C18H24O4/c1-5-20-17(21-6-2)16(19)12-13-18(3,4)22-14-15-10-8-7-9-11-15/h7-11,17H,5-6,14H2,1-4H3 |
| InChIKey | GCKFIGPJFYDLAD-UHFFFAOYSA-N |
| Mol Weight | 304.39 g/mol |
| Molecular Formula | C18H24O4 |
| Exact Mass | 304.167459 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 3m9uYpcZPjD |
|---|---|
| Name | 5-(Benzyloxy)-1,1-diethoxy-5-methylhex-3-yn-2-one |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 304.167459249 u |
| Formula | C18H24O4 |
| InChI | InChI=1S/C18H24O4/c1-5-20-17(21-6-2)16(19)12-13-18(3,4)22-14-15-10-8-7-9-11-15/h7-11,17H,5-6,14H2,1-4H3 |
| InChIKey | GCKFIGPJFYDLAD-UHFFFAOYSA-N |
| SMILES | C(OCC)(OCC)C(C#CC(OCC=1C=CC=CC1)(C)C)=O |