| SpectraBase Compound ID | HrRBH3sMjOq |
|---|---|
| InChI | InChI=1S/C22H32O4/c1-13(23)26-15-8-10-21(2)14(12-15)4-5-16-17-6-7-19(20(24)25)22(17,3)11-9-18(16)21/h12,15-19H,4-11H2,1-3H3,(H,24,25) |
| InChIKey | IGVSYDSRXDDVNK-UHFFFAOYSA-N |
| Mol Weight | 360.5 g/mol |
| Molecular Formula | C22H32O4 |
| Exact Mass | 360.23006 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 1hKykJMvAfe |
|---|---|
| Name | 4-Etienic acid, 3-acetoxy- |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 360.230059506 u |
| Formula | C22H32O4 |
| InChI | InChI=1S/C22H32O4/c1-13(23)26-15-8-10-21(2)14(12-15)4-5-16-17-6-7-19(20(24)25)22(17,3)11-9-18(16)21/h12,15-19H,4-11H2,1-3H3,(H,24,25) |
| InChIKey | IGVSYDSRXDDVNK-UHFFFAOYSA-N |
| Molecular Weight | 360.494 g/mol |
| SMILES | C1(CCC2(C(=C1)CCC1C2CCC2(C1CCC2C(=O)O)C)C)OC(C)=O |