| SpectraBase Compound ID | 9WF5whxcPNY |
|---|---|
| InChI | InChI=1S/C22H30O4/c1-17(2)8-6-9-18(3)13-15-26-21-12-11-20(16-22(21)24-5)10-7-14-25-19(4)23/h7-8,10-13,16H,6,9,14-15H2,1-5H3/b10-7+,18-13+ |
| InChIKey | UAQANHDDMSNOAN-CVUDBVLYSA-N |
| Mol Weight | 358.48 g/mol |
| Molecular Formula | C22H30O4 |
| Exact Mass | 358.214409 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | Ho3LcSkTNX9 |
|---|---|
| Name | Conifegrol, acetate |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 358.214409442 u |
| Formula | C22H30O4 |
| InChI | InChI=1S/C22H30O4/c1-17(2)8-6-9-18(3)13-15-26-21-12-11-20(16-22(21)24-5)10-7-14-25-19(4)23/h7-8,10-13,16H,6,9,14-15H2,1-5H3/b10-7+,18-13+ |
| InChIKey | UAQANHDDMSNOAN-CVUDBVLYSA-N |
| Molecular Weight | 358.478 g/mol |
| SMILES | C1(=C(C=CC(=C1)\C=C\COC(=O)C)OC\C=C\(CCC=C(C)C)C)OC |