| SpectraBase Compound ID | H9GYy7cGGoE |
|---|---|
| InChI | InChI=1S/C14H12N4O4/c1-17-13(21)11-12(16-14(17)22)18(7-6-10(19)20)9-5-3-2-4-8(9)15-11/h2-5H,6-7H2,1H3,(H,19,20) |
| InChIKey | ROYLQRPPQCEJHW-UHFFFAOYSA-N |
| Mol Weight | 300.27 g/mol |
| Molecular Formula | C14H12N4O4 |
| Exact Mass | 300.085855 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | H1CHpwmZenJ |
|---|---|
| Name | 3-Methylisoalloxazin-10-propionic acid |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 300.085854878 u |
| Formula | C14H12N4O4 |
| InChI | InChI=1S/C14H12N4O4/c1-17-13(21)11-12(16-14(17)22)18(7-6-10(19)20)9-5-3-2-4-8(9)15-11/h2-5H,6-7H2,1H3,(H,19,20) |
| InChIKey | ROYLQRPPQCEJHW-UHFFFAOYSA-N |
| Molecular Weight | 300.274 g/mol |
| SMILES | C1=CC2=C(C=C1)N=C1C(N2CCC(O)=O)=NC(N(C1=O)C)=O |