| SpectraBase Compound ID | GCYk2QfLshV |
|---|---|
| InChI | InChI=1S/C24H34O4/c1-8-19(25)20-21(26)18(10-9-15(2)3)22(27)24(23(20)28,13-11-16(4)5)14-12-17(6)7/h9,11-12,26-27H,8,10,13-14H2,1-7H3 |
| InChIKey | VCANATCEXUMEMT-UHFFFAOYSA-N |
| Mol Weight | 386.5 g/mol |
| Molecular Formula | C24H34O4 |
| Exact Mass | 386.24571 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 1ZSqVyVBUZL |
|---|---|
| Name | Propiolupuphenone |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 386.245709571 u |
| Formula | C24H34O4 |
| InChI | InChI=1S/C24H34O4/c1-8-19(25)20-21(26)18(10-9-15(2)3)22(27)24(23(20)28,13-11-16(4)5)14-12-17(6)7/h9,11-12,26-27H,8,10,13-14H2,1-7H3 |
| InChIKey | VCANATCEXUMEMT-UHFFFAOYSA-N |
| Molecular Weight | 386.532 g/mol |
| SMILES | C1(C(=C(C(=C(C1(CC=C(C)C)CC=C(C)C)O)CC=C(C)C)O)C(CC)=O)=O |