| SpectraBase Compound ID | 1W6Ul77KLF3 |
|---|---|
| InChI | InChI=1S/C16H16O4/c1-9(2)7-8-11-14(18)13-10(5-4-6-12(13)17)15(19)16(11)20-3/h4-7,17H,8H2,1-3H3 |
| InChIKey | NWNBATRYXJMZTO-UHFFFAOYSA-N |
| Mol Weight | 272.3 g/mol |
| Molecular Formula | C16H16O4 |
| Exact Mass | 272.104859 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | E5I9oEKOnI6 |
|---|---|
| Name | 5-Hydroxy-2-methoxy-3-(3-methylbut-2-enyl)naphthalene-1,4-dione |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 272.104858991 u |
| Formula | C16H16O4 |
| InChI | InChI=1S/C16H16O4/c1-9(2)7-8-11-14(18)13-10(5-4-6-12(13)17)15(19)16(11)20-3/h4-7,17H,8H2,1-3H3 |
| InChIKey | NWNBATRYXJMZTO-UHFFFAOYSA-N |
| Molecular Weight | 272.300 g/mol |
| SMILES | C1(C(=C(C(C=2C(=CC=CC12)O)=O)CC=C(C)C)OC)=O |