| SpectraBase Compound ID | JytaamD699u |
|---|---|
| InChI | InChI=1S/C19H30O4/c1-3-4-5-6-7-8-9-16(20)17(21)12-10-15-11-13-18(22)19(14-15)23-2/h11,13-14,17,21-22H,3-10,12H2,1-2H3 |
| InChIKey | VLQMRZVDEOFDCH-UHFFFAOYSA-N |
| Mol Weight | 322.45 g/mol |
| Molecular Formula | C19H30O4 |
| Exact Mass | 322.214409 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | D9lUNqbl5av |
|---|---|
| Name | 3-Hydroxy-1-(4-hydroxy-3-methoxyphenyl)dodecan-4-one |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 322.214409442 u |
| Formula | C19H30O4 |
| InChI | InChI=1S/C19H30O4/c1-3-4-5-6-7-8-9-16(20)17(21)12-10-15-11-13-18(22)19(14-15)23-2/h11,13-14,17,21-22H,3-10,12H2,1-2H3 |
| InChIKey | VLQMRZVDEOFDCH-UHFFFAOYSA-N |
| Molecular Weight | 322.445 g/mol |
| SMILES | C(CC(C(CCCCCCCC)=O)O)C=1C=C(C(=CC1)O)OC |