| SpectraBase Compound ID | 91noeE6JRk9 |
|---|---|
| InChI | InChI=1S/C12H9N3O5/c1-6-13-7(3-18-6)10-14-8(4-19-10)11-15-9(5-20-11)12(16)17-2/h3-5H,1-2H3 |
| InChIKey | NFADEMZHWMKQKN-UHFFFAOYSA-N |
| Mol Weight | 275.22 g/mol |
| Molecular Formula | C12H9N3O5 |
| Exact Mass | 275.05422 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | HG4JiCMueAx |
|---|---|
| Name | 2''-Methyl-2,4:2'-4''-ter(1,3-oxazolyl)-4-carbonylic acid methyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 275.054220397 u |
| Formula | C12H9N3O5 |
| InChI | InChI=1S/C12H9N3O5/c1-6-13-7(3-18-6)10-14-8(4-19-10)11-15-9(5-20-11)12(16)17-2/h3-5H,1-2H3 |
| InChIKey | NFADEMZHWMKQKN-UHFFFAOYSA-N |
| Molecular Weight | 275.220 g/mol |
| SMILES | C=1(N=C(C=2N=C(C)OC2)OC1)C1=NC(C(=O)OC)=CO1 |