![2-[(3,3-Dimethyl-2-oxiranyl)methyl]naphthalene-1,4-dione](/api/spectrum/DyOzmaHJVIJ/structure.png?h=300&w=458 "2-[(3,3-Dimethyl-2-oxiranyl)methyl]naphthalene-1,4-dione")
| SpectraBase Compound ID | K8uzhpLZmAe |
|---|---|
| InChI | InChI=1S/C15H14O3/c1-15(2)13(18-15)8-9-7-12(16)10-5-3-4-6-11(10)14(9)17/h3-7,13H,8H2,1-2H3 |
| InChIKey | RUNSXUMHNSDUHH-UHFFFAOYSA-N |
| Mol Weight | 242.27 g/mol |
| Molecular Formula | C15H14O3 |
| Exact Mass | 242.094294 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | DyOzmaHJVIJ |
|---|---|
| Name | 2-[(3,3-Dimethyl-2-oxiranyl)methyl]naphthalene-1,4-dione |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 242.094294308 u |
| Formula | C15H14O3 |
| InChI | InChI=1S/C15H14O3/c1-15(2)13(18-15)8-9-7-12(16)10-5-3-4-6-11(10)14(9)17/h3-7,13H,8H2,1-2H3 |
| InChIKey | RUNSXUMHNSDUHH-UHFFFAOYSA-N |
| Molecular Weight | 242.274 g/mol |
| SMILES | C1(C(=CC(C=2C=CC=CC12)=O)CC1C(C)(C)O1)=O |