| SpectraBase Compound ID | 5f2k9asaXq5 |
|---|---|
| InChI | InChI=1S/C22H24O4/c1-15(2)21(23)25-19-12-18(11-10-17-8-6-5-7-9-17)13-20(14-19)26-22(24)16(3)4/h5-16H,1-4H3/b11-10+ |
| InChIKey | NRXCZVPOKMLIEY-ZHACJKMWSA-N |
| Mol Weight | 352.43 g/mol |
| Molecular Formula | C22H24O4 |
| Exact Mass | 352.167459 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | BqdEqGNzUzv |
|---|---|
| Name | Pinosylvin, bis(2-methylpropionate) |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 352.167459249 u |
| Formula | C22H24O4 |
| InChI | InChI=1S/C22H24O4/c1-15(2)21(23)25-19-12-18(11-10-17-8-6-5-7-9-17)13-20(14-19)26-22(24)16(3)4/h5-16H,1-4H3/b11-10+ |
| InChIKey | NRXCZVPOKMLIEY-ZHACJKMWSA-N |
| Molecular Weight | 352.430 g/mol |
| SMILES | C1(\C=C\C2=CC(OC(C(C)C)=O)=CC(=C2)OC(C(C)C)=O)=CC=CC=C1 |