![2-[(E)-2-(3-nitrophenyl)ethenyl]-3,1-benzoxazin-4-one](/api/spectrum/1FPigD4jmeE/structure.png?h=300&w=458 "2-[(E)-2-(3-nitrophenyl)ethenyl]-3,1-benzoxazin-4-one")
| SpectraBase Compound ID | KpKMuUWczBw |
|---|---|
| InChI | InChI=1S/C16H10N2O4/c19-16-13-6-1-2-7-14(13)17-15(22-16)9-8-11-4-3-5-12(10-11)18(20)21/h1-10H/b9-8+ |
| InChIKey | XBYFGHMONVRUBR-CMDGGOBGSA-N |
| Mol Weight | 294.27 g/mol |
| Molecular Formula | C16H10N2O4 |
| Exact Mass | 294.064057 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 1FPigD4jmeE |
|---|---|
| Name | 2-[(E)-2-(3-Nitrophenyl)ethenyl]-3,1-benzoxazin-4-one |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 294.064056806 u |
| Formula | C16H10N2O4 |
| InChI | InChI=1S/C16H10N2O4/c19-16-13-6-1-2-7-14(13)17-15(22-16)9-8-11-4-3-5-12(10-11)18(20)21/h1-10H/b9-8+ |
| InChIKey | XBYFGHMONVRUBR-CMDGGOBGSA-N |
| SMILES | C1(OC(\C=C\C=2C=C(N(=O)=O)C=CC2)=NC=2C1=CC=CC2)=O |