![(2E)-2-[4,4-dimethyl-2-(2-pyridinyl)-5-oxazolylidene]acetic acid methyl ester](/api/spectrum/8uBHhF1ST3h/structure.png?h=300&w=458 "(2E)-2-[4,4-dimethyl-2-(2-pyridinyl)-5-oxazolylidene]acetic acid methyl ester")
| SpectraBase Compound ID | 1NQknYnchS2 |
|---|---|
| InChI | InChI=1S/C13H14N2O3/c1-13(2)10(8-11(16)17-3)18-12(15-13)9-6-4-5-7-14-9/h4-8H,1-3H3/b10-8+ |
| InChIKey | UGMRBVJUOZHUAO-CSKARUKUSA-N |
| Mol Weight | 246.27 g/mol |
| Molecular Formula | C13H14N2O3 |
| Exact Mass | 246.100442 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 8uBHhF1ST3h |
|---|---|
| Name | (2E)-2-[4,4-Dimethyl-2-(2-pyridinyl)-5-oxazolylidene]acetic acid methyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 246.100442316 u |
| Formula | C13H14N2O3 |
| InChI | InChI=1S/C13H14N2O3/c1-13(2)10(8-11(16)17-3)18-12(15-13)9-6-4-5-7-14-9/h4-8H,1-3H3/b10-8+ |
| InChIKey | UGMRBVJUOZHUAO-CSKARUKUSA-N |
| Molecular Weight | 246.266 g/mol |
| SMILES | C1(=NC(\C(O1)=C/C(=O)OC)(C)C)C1=NC=CC=C1 |