| SpectraBase Compound ID | Ys7bVRFcIT |
|---|---|
| InChI | InChI=1S/C12H15NO3/c1-3-15-12(14)13-9(2)11-7-5-4-6-10(11)8-16-13/h4-7,9H,3,8H2,1-2H3 |
| InChIKey | YKYSTHRDJBEAAR-UHFFFAOYSA-N |
| Mol Weight | 221.26 g/mol |
| Molecular Formula | C12H15NO3 |
| Exact Mass | 221.105193 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 75zQAALMdLl |
|---|---|
| Name | 3,4-Dihydro-4-methyl-1H-2,3-benzoxazine-3-carboxylic acid, ethyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 221.105193344 u |
| Formula | C12H15NO3 |
| InChI | InChI=1S/C12H15NO3/c1-3-15-12(14)13-9(2)11-7-5-4-6-10(11)8-16-13/h4-7,9H,3,8H2,1-2H3 |
| InChIKey | YKYSTHRDJBEAAR-UHFFFAOYSA-N |
| Molecular Weight | 221.256 g/mol |
| SMILES | C(=O)(N1OCC2=C(C=CC=C2)C1C)OCC |