| SpectraBase Compound ID | 8G2isZXx3ny |
|---|---|
| InChI | InChI=1S/C17H15NO3/c1-12-7-8-16-14(9-12)18(17(20)11-21-16)10-15(19)13-5-3-2-4-6-13/h2-9H,10-11H2,1H3 |
| InChIKey | KUGJEEQBTJZUIL-UHFFFAOYSA-N |
| Mol Weight | 281.31 g/mol |
| Molecular Formula | C17H15NO3 |
| Exact Mass | 281.105193 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | EYlBwxkQtzG |
|---|---|
| Name | 4-(Benzoylmethyl)-6-methyl-2H-1,4-benzoxazin-3-one |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 281.105193344 u |
| Formula | C17H15NO3 |
| InChI | InChI=1S/C17H15NO3/c1-12-7-8-16-14(9-12)18(17(20)11-21-16)10-15(19)13-5-3-2-4-6-13/h2-9H,10-11H2,1H3 |
| InChIKey | KUGJEEQBTJZUIL-UHFFFAOYSA-N |
| SMILES | C1(=CC=C2C(=C1)N(C(CO2)=O)CC(=O)C1=CC=CC=C1)C |