| SpectraBase Compound ID | 2BwDiFeTLXc |
|---|---|
| InChI | InChI=1S/C14H19NO4S/c1-15(10-20-11-7-5-4-6-8-11)12(14(17)19-3)9-13(16)18-2/h4-8,12H,9-10H2,1-3H3 |
| InChIKey | DBVKEHVJQBISFR-UHFFFAOYSA-N |
| Mol Weight | 297.37 g/mol |
| Molecular Formula | C14H19NO4S |
| Exact Mass | 297.103479 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | AmrqRVqCkAF |
|---|---|
| Name | Dimethyl N-methyl-N-phenylthiomethyl-amino-butanedioate |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 297.103479266 u |
| Formula | C14H19NO4S |
| InChI | InChI=1S/C14H19NO4S/c1-15(10-20-11-7-5-4-6-8-11)12(14(17)19-3)9-13(16)18-2/h4-8,12H,9-10H2,1-3H3 |
| InChIKey | DBVKEHVJQBISFR-UHFFFAOYSA-N |
| SMILES | C1=C(C=CC=C1)SCN(C(C(=O)OC)CC(OC)=O)C |