| SpectraBase Compound ID | I0dKttlMErV |
|---|---|
| InChI | InChI=1S/C29H48O4/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-27-22-28(32-25(2)30)24-29(23-27)33-26(3)31/h22-24H,4-21H2,1-3H3 |
| InChIKey | DPWWHJPJJUBNCW-UHFFFAOYSA-N |
| Mol Weight | 460.7 g/mol |
| Molecular Formula | C29H48O4 |
| Exact Mass | 460.35526 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 1U7qrfWue4C |
|---|---|
| Name | 5-Nonadecylresorcinol, diacetate |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 460.355260022 u |
| Formula | C29H48O4 |
| InChI | InChI=1S/C29H48O4/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-27-22-28(32-25(2)30)24-29(23-27)33-26(3)31/h22-24H,4-21H2,1-3H3 |
| InChIKey | DPWWHJPJJUBNCW-UHFFFAOYSA-N |
| Molecular Weight | 460.699 g/mol |
| SMILES | C1(OC(=O)C)=CC(OC(=O)C)=CC(CCCCCCCCCCCCCCCCCCC)=C1 |