| SpectraBase Compound ID | D0XFSIscG3F |
|---|---|
| InChI | InChI=1S/C17H18O4/c1-3-4-5-6-8-12-15(18)11-9-7-10-13(21-2)14(11)17(20)16(12)19/h6-10,19H,3-5H2,1-2H3/b8-6+ |
| InChIKey | PWAGNVKALMQXNM-SOFGYWHQSA-N |
| Mol Weight | 286.33 g/mol |
| Molecular Formula | C17H18O4 |
| Exact Mass | 286.120509 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | KjPSkEVx2ny |
|---|---|
| Name | 2-Hydroxy-8-methoxy-3-(1'-hexenyl)-1,4-naphthoquinone |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 286.120509056 u |
| Formula | C17H18O4 |
| InChI | InChI=1S/C17H18O4/c1-3-4-5-6-8-12-15(18)11-9-7-10-13(21-2)14(11)17(20)16(12)19/h6-10,19H,3-5H2,1-2H3/b8-6+ |
| InChIKey | PWAGNVKALMQXNM-SOFGYWHQSA-N |
| SMILES | C1(C(=C(C(C=2C=CC=C(C12)OC)=O)\C=C\CCCC)O)=O |