| SpectraBase Compound ID | 2sOEzp6CUqu |
|---|---|
| InChI | InChI=1S/C14H12O4/c1-8(15)6-7-11-12(16)9-4-2-3-5-10(9)13(17)14(11)18/h2-5,18H,6-7H2,1H3 |
| InChIKey | GKCMTPPTMYVLHO-UHFFFAOYSA-N |
| Mol Weight | 244.25 g/mol |
| Molecular Formula | C14H12O4 |
| Exact Mass | 244.073559 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | EFPS3XTTxe3 |
|---|---|
| Name | 2-Hydroxy-3-(3-oxobutyl)-1,4-naphthalenedione |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 244.073558862 u |
| Formula | C14H12O4 |
| InChI | InChI=1S/C14H12O4/c1-8(15)6-7-11-12(16)9-4-2-3-5-10(9)13(17)14(11)18/h2-5,18H,6-7H2,1H3 |
| InChIKey | GKCMTPPTMYVLHO-UHFFFAOYSA-N |
| Molecular Weight | 244.246 g/mol |
| SMILES | C1(=C(C(=O)C2=C(C1=O)C=CC=C2)O)CCC(=O)C |