| SpectraBase Compound ID | 9Aau3malP5X |
|---|---|
| InChI | InChI=1S/C16H16N2O4/c1-2-21-15(19)18-13-9-6-10-14(11-13)22-16(20)17-12-7-4-3-5-8-12/h3-11H,2H2,1H3,(H,17,20)(H,18,19) |
| InChIKey | WZJZMXBKUWKXTQ-UHFFFAOYSA-N |
| Mol Weight | 300.31 g/mol |
| Molecular Formula | C16H16N2O4 |
| Exact Mass | 300.111007 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | FzADFRfQRA5 |
|---|---|
| Name | Desmedipham (98.7%) |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 300.111006999 u |
| Formula | C16H16N2O4 |
| InChI | InChI=1S/C16H16N2O4/c1-2-21-15(19)18-13-9-6-10-14(11-13)22-16(20)17-12-7-4-3-5-8-12/h3-11H,2H2,1H3,(H,17,20)(H,18,19) |
| InChIKey | WZJZMXBKUWKXTQ-UHFFFAOYSA-N |
| Molecular Weight | 300.314 g/mol |
| SMILES | N(C=1C=CC=C(OC(NC=2C=CC=CC2)=O)C1)C(OCC)=O |