| SpectraBase Compound ID | C14VjwCKB6A |
|---|---|
| InChI | InChI=1S/C15H17NO4S/c1-8-11(14(17)19-3)13(10-6-5-7-21-10)12(9(2)16-8)15(18)20-4/h5-7,13,16H,1-4H3 |
| InChIKey | YMVGDYYRAKPUNZ-UHFFFAOYSA-N |
| Mol Weight | 307.36 g/mol |
| Molecular Formula | C15H17NO4S |
| Exact Mass | 307.087829 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | KeyRlJIpbD6 |
|---|---|
| Name | Dimethyl 2,6-dimethyl-4-(2-thienyl)-1,4-dihydro-3,5-pyridinedicarboxylate |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 307.087829201 u |
| Formula | C15H17NO4S |
| InChI | InChI=1S/C15H17NO4S/c1-8-11(14(17)19-3)13(10-6-5-7-21-10)12(9(2)16-8)15(18)20-4/h5-7,13,16H,1-4H3 |
| InChIKey | YMVGDYYRAKPUNZ-UHFFFAOYSA-N |
| Molecular Weight | 307.364 g/mol |
| SMILES | C1(C(OC)=O)=C(C)NC(=C(C1C1=CC=CS1)C(OC)=O)C |