| SpectraBase Compound ID | BcFs9MJVJvD |
|---|---|
| InChI | InChI=1S/C16H14N2O6/c1-8-12(15(19)20)14(13(9(2)17-8)16(21)24-3)10-6-4-5-7-11(10)18(22)23/h4-7H,1-3H3,(H,19,20) |
| InChIKey | LCCVJQVUSQPANR-UHFFFAOYSA-N |
| Mol Weight | 330.3 g/mol |
| Molecular Formula | C16H14N2O6 |
| Exact Mass | 330.085186 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | K8yOf5Siklt |
|---|---|
| Name | Nifedipine-m/artifact P1093 |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 330.085186173 u |
| Formula | C16H14N2O6 |
| InChI | InChI=1S/C16H14N2O6/c1-8-12(15(19)20)14(13(9(2)17-8)16(21)24-3)10-6-4-5-7-11(10)18(22)23/h4-7H,1-3H3,(H,19,20) |
| InChIKey | LCCVJQVUSQPANR-UHFFFAOYSA-N |
| Molecular Weight | 330.296 g/mol |
| SMILES | C1=CC=CC(=C1C1=C(C(O)=O)C(=NC(=C1C(=O)OC)C)C)N(=O)=O |