![4-[(E)-2-(3-methyl-4-nitro-1,2-oxazol-5-yl)ethenyl]benzenecarbonitrile](/api/spectrum/LFx6eNfaTSb/structure.png?h=300&w=458 "4-[(E)-2-(3-methyl-4-nitro-1,2-oxazol-5-yl)ethenyl]benzenecarbonitrile")
| SpectraBase Compound ID | EwTecwDJAD5 |
|---|---|
| InChI | InChI=1S/C13H9N3O3/c1-9-13(16(17)18)12(19-15-9)7-6-10-2-4-11(8-14)5-3-10/h2-7H,1H3/b7-6+ |
| InChIKey | UQWTTYKFTNNAMO-VOTSOKGWSA-N |
| Mol Weight | 255.23 g/mol |
| Molecular Formula | C13H9N3O3 |
| Exact Mass | 255.064391 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | LFx6eNfaTSb |
|---|---|
| Name | 4-[(E)-2-(3-Methyl-4-nitro-1,2-oxazol-5-yl)ethenyl]benzenecarbonitrile |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 255.064391159 u |
| Formula | C13H9N3O3 |
| InChI | InChI=1S/C13H9N3O3/c1-9-13(16(17)18)12(19-15-9)7-6-10-2-4-11(8-14)5-3-10/h2-7H,1H3/b7-6+ |
| InChIKey | UQWTTYKFTNNAMO-VOTSOKGWSA-N |
| Molecular Weight | 255.233 g/mol |
| SMILES | C1(N(=O)=O)=C(ON=C1C)\C=C\C1=CC=C(C#N)C=C1 |