| SpectraBase Compound ID | KEJPL4CoCgj |
|---|---|
| InChI | InChI=1S/C17H16N2O6/c1-4-25-17(22)14-10(3)18-9(2)13(16(20)21)15(14)11-6-5-7-12(8-11)19(23)24/h5-8H,4H2,1-3H3,(H,20,21) |
| InChIKey | LFBBVVFUCYMPCG-UHFFFAOYSA-N |
| Mol Weight | 344.32 g/mol |
| Molecular Formula | C17H16N2O6 |
| Exact Mass | 344.100836 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 6jPrlk3Vyjb |
|---|---|
| Name | 1,4-Dehydro-o-demethylnitrendipine |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 344.100836237 u |
| Formula | C17H16N2O6 |
| InChI | InChI=1S/C17H16N2O6/c1-4-25-17(22)14-10(3)18-9(2)13(16(20)21)15(14)11-6-5-7-12(8-11)19(23)24/h5-8H,4H2,1-3H3,(H,20,21) |
| InChIKey | LFBBVVFUCYMPCG-UHFFFAOYSA-N |
| Molecular Weight | 344.323 g/mol |
| SMILES | OC(c1c(-c2cccc(c2)N(=O)=O)c(c(C)nc1C)C(=O)OCC)=O |