| SpectraBase Compound ID | 4RnIduxtqY1 |
|---|---|
| InChI | InChI=1S/C22H36O3/c23-17-13-11-9-7-5-3-1-2-4-6-8-10-12-14-20-15-16-21-22(18-20)25-19-24-21/h15-16,18,23H,1-14,17,19H2 |
| InChIKey | NZPONFDPKZLPKY-UHFFFAOYSA-N |
| Mol Weight | 348.5 g/mol |
| Molecular Formula | C22H36O3 |
| Exact Mass | 348.266445 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 6CGeDpIBESf |
|---|---|
| Name | 15-(1,3-Benzodioxol-5-yl)-1-pentadecanol |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 348.266445016 u |
| Formula | C22H36O3 |
| InChI | InChI=1S/C22H36O3/c23-17-13-11-9-7-5-3-1-2-4-6-8-10-12-14-20-15-16-21-22(18-20)25-19-24-21/h15-16,18,23H,1-14,17,19H2 |
| InChIKey | NZPONFDPKZLPKY-UHFFFAOYSA-N |
| Molecular Weight | 348.527 g/mol |
| SMILES | C12=C(OCO2)C=CC(=C1)CCCCCCCCCCCCCCCO |