| SpectraBase Compound ID | I0VhW61waNF |
|---|---|
| InChI | InChI=1S/C26H44O3/c1-4-5-6-7-8-9-10-11-12-13-14-18-24(27)19-16-15-17-23-20-21-25(28-2)26(22-23)29-3/h20-22H,4-19H2,1-3H3 |
| InChIKey | PJJQMONMHREDCY-UHFFFAOYSA-N |
| Mol Weight | 404.6 g/mol |
| Molecular Formula | C26H44O3 |
| Exact Mass | 404.329045 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | DcxN6tG4Dfh |
|---|---|
| Name | 1-(3',4'-Dimethoxyphenyl)octadecan-5-one |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 404.329045274 u |
| Formula | C26H44O3 |
| InChI | InChI=1S/C26H44O3/c1-4-5-6-7-8-9-10-11-12-13-14-18-24(27)19-16-15-17-23-20-21-25(28-2)26(22-23)29-3/h20-22H,4-19H2,1-3H3 |
| InChIKey | PJJQMONMHREDCY-UHFFFAOYSA-N |
| Molecular Weight | 404.635 g/mol |
| SMILES | C=1(C(=CC=C(C1)CCCCC(=O)CCCCCCCCCCCCC)OC)OC |