| SpectraBase Compound ID | 7zP5CG4aCId |
|---|---|
| InChI | InChI=1S/C14H12N2O3/c1-11-14(16(17)18)13(19-15-11)10-6-5-9-12-7-3-2-4-8-12/h2-10H,1H3/b9-5+,10-6+ |
| InChIKey | DKPBCIGIONEFBT-NXZHAISVSA-N |
| Mol Weight | 256.26 g/mol |
| Molecular Formula | C14H12N2O3 |
| Exact Mass | 256.084792 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 8bRsXJLBOfl |
|---|---|
| Name | Isoxazole, 3-methyl-4-nirto-5-(4-phenylbuta-1,3-dienyl)- |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 256.084792251 u |
| Formula | C14H12N2O3 |
| InChI | InChI=1S/C14H12N2O3/c1-11-14(16(17)18)13(19-15-11)10-6-5-9-12-7-3-2-4-8-12/h2-10H,1H3/b9-5+,10-6+ |
| InChIKey | DKPBCIGIONEFBT-NXZHAISVSA-N |
| Molecular Weight | 256.261 g/mol |
| SMILES | C1(=NOC(=C1N(=O)=O)\C=C\C=C\C1=CC=CC=C1)C |