| SpectraBase Compound ID | 1uZX9AXHKr9 |
|---|---|
| InChI | InChI=1S/C16H16N2O5S/c1-3-22-14(20)11-12(15(21)23-4-2)24-16(17-11)18-13(19)10-8-6-5-7-9-10/h5-9H,3-4H2,1-2H3,(H,17,18,19) |
| InChIKey | RHXRNJDQWCAEMC-UHFFFAOYSA-N |
| Mol Weight | 348.37 g/mol |
| Molecular Formula | C16H16N2O5S |
| Exact Mass | 348.077993 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 2CytSvQGGdJ |
|---|---|
| Name | Ethyl 2-benzamidothiazole-4,5-dicarboxylate |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 348.077992792 u |
| Formula | C16H16N2O5S |
| InChI | InChI=1S/C16H16N2O5S/c1-3-22-14(20)11-12(15(21)23-4-2)24-16(17-11)18-13(19)10-8-6-5-7-9-10/h5-9H,3-4H2,1-2H3,(H,17,18,19) |
| InChIKey | RHXRNJDQWCAEMC-UHFFFAOYSA-N |
| Molecular Weight | 348.373 g/mol |
| SMILES | C(=O)(NC1=NC(C(OCC)=O)=C(S1)C(OCC)=O)C1=CC=CC=C1 |