| SpectraBase Compound ID | 7qdsjvJ2cvd |
|---|---|
| InChI | InChI=1S/C18H14N2O4/c1-23-18(22)14-8-12-11-4-2-3-5-13(11)19-16(12)17(20-14)15-7-6-10(9-21)24-15/h2-8,19,21H,9H2,1H3 |
| InChIKey | BQMIHWBNJGZYRR-UHFFFAOYSA-N |
| Mol Weight | 322.32 g/mol |
| Molecular Formula | C18H14N2O4 |
| Exact Mass | 322.095357 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 5YujSDPfsoH |
|---|---|
| Name | Flazin, methyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 322.095356935 u |
| Formula | C18H14N2O4 |
| InChI | InChI=1S/C18H14N2O4/c1-23-18(22)14-8-12-11-4-2-3-5-13(11)19-16(12)17(20-14)15-7-6-10(9-21)24-15/h2-8,19,21H,9H2,1H3 |
| InChIKey | BQMIHWBNJGZYRR-UHFFFAOYSA-N |
| Molecular Weight | 322.320 g/mol |
| SMILES | C1(=NC(=CC2=C1NC=1C2=CC=CC1)C(OC)=O)C=1OC(=CC1)CO |