| SpectraBase Compound ID | 4TPDnsBFEB6 |
|---|---|
| InChI | InChI=1S/C18H18O4/c1-22-15-9-5-8-12-16(15)14(19)10-13(18(12)21)17(20)11-6-3-2-4-7-11/h5,8-11H,2-4,6-7H2,1H3 |
| InChIKey | LCVPHMAQFQAHPE-UHFFFAOYSA-N |
| Mol Weight | 298.34 g/mol |
| Molecular Formula | C18H18O4 |
| Exact Mass | 298.120509 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 1dTixDwj10v |
|---|---|
| Name | 1,4-Naphthalenedione, 2-(cyclohexylcarbonyl)-5-methoxy- |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 298.120509056 u |
| Formula | C18H18O4 |
| InChI | InChI=1S/C18H18O4/c1-22-15-9-5-8-12-16(15)14(19)10-13(18(12)21)17(20)11-6-3-2-4-7-11/h5,8-11H,2-4,6-7H2,1H3 |
| InChIKey | LCVPHMAQFQAHPE-UHFFFAOYSA-N |
| SMILES | C=1(C(C=2C=CC=C(C2C(C1)=O)OC)=O)C(=O)C1CCCCC1 |