| SpectraBase Compound ID | C00FAMIekqg |
|---|---|
| InChI | InChI=1S/C16H11NO4/c18-14(11-6-2-1-3-7-11)10-17-13-9-5-4-8-12(13)15(19)21-16(17)20/h1-9H,10H2 |
| InChIKey | SZAJJZHAUWMFEY-UHFFFAOYSA-N |
| Mol Weight | 281.27 g/mol |
| Molecular Formula | C16H11NO4 |
| Exact Mass | 281.068808 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 3a1siuPVwzk |
|---|---|
| Name | 1-Phenacyl-2H-3,1-benzoxazine-2,4(1H)-dione |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 281.068807834 u |
| Formula | C16H11NO4 |
| InChI | InChI=1S/C16H11NO4/c18-14(11-6-2-1-3-7-11)10-17-13-9-5-4-8-12(13)15(19)21-16(17)20/h1-9H,10H2 |
| InChIKey | SZAJJZHAUWMFEY-UHFFFAOYSA-N |
| SMILES | C1=CC=CC2=C1C(=O)OC(=O)N2CC(C=1C=CC=CC1)=O |