| SpectraBase Compound ID | HSgIebS3gSS |
|---|---|
| InChI | InChI=1S/C14H12O3/c1-3-5-9-8-11(15)13-10(14(9)16)6-4-7-12(13)17-2/h3-4,6-8H,1,5H2,2H3 |
| InChIKey | ZZIHEANYTKEEDY-UHFFFAOYSA-N |
| Mol Weight | 228.25 g/mol |
| Molecular Formula | C14H12O3 |
| Exact Mass | 228.078644 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 1B315QDJE8a |
|---|---|
| Name | 2-Allyl-5-methoxynaphthalene-1,4-dione |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 228.078644243 u |
| Formula | C14H12O3 |
| InChI | InChI=1S/C14H12O3/c1-3-5-9-8-11(15)13-10(14(9)16)6-4-7-12(13)17-2/h3-4,6-8H,1,5H2,2H3 |
| InChIKey | ZZIHEANYTKEEDY-UHFFFAOYSA-N |
| Molecular Weight | 228.247 g/mol |
| SMILES | C1(C=2C(=CC=CC2OC)C(C(=C1)CC=C)=O)=O |