| SpectraBase Compound ID | 89g75ckhIXy |
|---|---|
| InChI | InChI=1S/C12H9NO2/c13-10-7-11(14)9(6-12(10)15)8-4-2-1-3-5-8/h1-7H,13H2 |
| InChIKey | DJBMKGZOFWSXEP-UHFFFAOYSA-N |
| Mol Weight | 199.21 g/mol |
| Molecular Formula | C12H9NO2 |
| Exact Mass | 199.063329 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | EMJKuaMnpjI |
|---|---|
| Name | 2-Amino-5-phenyl-1,4-benzoquinone |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 199.063328532 u |
| Formula | C12H9NO2 |
| InChI | InChI=1S/C12H9NO2/c13-10-7-11(14)9(6-12(10)15)8-4-2-1-3-5-8/h1-7H,13H2 |
| InChIKey | DJBMKGZOFWSXEP-UHFFFAOYSA-N |
| Molecular Weight | 199.209 g/mol |
| SMILES | C1(C(=CC(C(=C1)C=1C=CC=CC1)=O)N)=O |