![Isoxazole, 5-[2-(4-methoxyphenyl)ethenyl]-3-methyl-4-nitro-](/api/spectrum/IZxtbrJ2TnM/structure.png?h=300&w=458 "Isoxazole, 5-[2-(4-methoxyphenyl)ethenyl]-3-methyl-4-nitro-")
| SpectraBase Compound ID | FD7WxxBotud |
|---|---|
| InChI | InChI=1S/C13H12N2O4/c1-9-13(15(16)17)12(19-14-9)8-5-10-3-6-11(18-2)7-4-10/h3-8H,1-2H3/b8-5+ |
| InChIKey | YTRXYZQOCQHIMO-VMPITWQZSA-N |
| Mol Weight | 260.25 g/mol |
| Molecular Formula | C13H12N2O4 |
| Exact Mass | 260.079707 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | IZxtbrJ2TnM |
|---|---|
| Name | Isoxazole, 5-[2-(4-methoxyphenyl)ethenyl]-3-methyl-4-nitro- |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 260.079706870 u |
| Formula | C13H12N2O4 |
| InChI | InChI=1S/C13H12N2O4/c1-9-13(15(16)17)12(19-14-9)8-5-10-3-6-11(18-2)7-4-10/h3-8H,1-2H3/b8-5+ |
| InChIKey | YTRXYZQOCQHIMO-VMPITWQZSA-N |
| Molecular Weight | 260.249 g/mol |
| SMILES | C1(N(=O)=O)=C(ON=C1C)\C=C\C1=CC=C(C=C1)OC |