| SpectraBase Compound ID | 9WYzlThAGfF |
|---|---|
| InChI | InChI=1S/C18H28O4/c1-3-4-5-6-7-8-9-10-16(20)18(21)14-11-12-15(19)17(13-14)22-2/h11-13,18-19,21H,3-10H2,1-2H3 |
| InChIKey | CGQCFWHHYKNAFV-UHFFFAOYSA-N |
| Mol Weight | 308.42 g/mol |
| Molecular Formula | C18H28O4 |
| Exact Mass | 308.198759 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 5rqvmGzLTjX |
|---|---|
| Name | 1-Hydroxy-1-(4-hydroxy-3-methoxyphenyl)undecan-2-one |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 308.198759378 u |
| Formula | C18H28O4 |
| InChI | InChI=1S/C18H28O4/c1-3-4-5-6-7-8-9-10-16(20)18(21)14-11-12-15(19)17(13-14)22-2/h11-13,18-19,21H,3-10H2,1-2H3 |
| InChIKey | CGQCFWHHYKNAFV-UHFFFAOYSA-N |
| Molecular Weight | 308.418 g/mol |
| SMILES | C(C(CCCCCCCCC)=O)(C=1C=C(C(=CC1)O)OC)O |