| SpectraBase Compound ID | E55MGHZx7fG |
|---|---|
| InChI | InChI=1S/C12H12N2O3/c1-7(17-8(2)15)11-13-10-6-4-3-5-9(10)12(16)14-11/h3-7H,1-2H3,(H,13,14,16)/t7-/m0/s1 |
| InChIKey | WSCKGIYAXDGDKO-ZETCQYMHSA-N |
| Mol Weight | 232.24 g/mol |
| Molecular Formula | C12H12N2O3 |
| Exact Mass | 232.084792 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 3W2DDOsO7yD |
|---|---|
| Name | Chrysogine, o-acetyl |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 232.084792251 u |
| Formula | C12H12N2O3 |
| InChI | InChI=1S/C12H12N2O3/c1-7(17-8(2)15)11-13-10-6-4-3-5-9(10)12(16)14-11/h3-7H,1-2H3,(H,13,14,16)/t7-/m0/s1 |
| InChIKey | WSCKGIYAXDGDKO-ZETCQYMHSA-N |
| Molecular Weight | 232.239 g/mol |
| SMILES | C1=CC=C2N=C(NC(C2=C1)=O)[C@@](OC(=O)C)(C)[H] |