| SpectraBase Compound ID | B1YHfojNctM |
|---|---|
| InChI | InChI=1S/C15H9NO3/c17-11-6-7-12(18)15-14(11)10(8-13(19)16-15)9-4-2-1-3-5-9/h1-8H,(H,16,19) |
| InChIKey | QXDBAKKJDUNVEO-UHFFFAOYSA-N |
| Mol Weight | 251.24 g/mol |
| Molecular Formula | C15H9NO3 |
| Exact Mass | 251.058243 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 1zJWDsxoUtg |
|---|---|
| Name | 4-Phenyl-2,5,8(1H)-quinoneone |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 251.058243151 u |
| Formula | C15H9NO3 |
| InChI | InChI=1S/C15H9NO3/c17-11-6-7-12(18)15-14(11)10(8-13(19)16-15)9-4-2-1-3-5-9/h1-8H,(H,16,19) |
| InChIKey | QXDBAKKJDUNVEO-UHFFFAOYSA-N |
| Molecular Weight | 251.241 g/mol |
| SMILES | C12=C(NC(C=C2C2=CC=CC=C2)=O)C(=O)C=CC1=O |