| SpectraBase Compound ID | 7ob1AjVYtCK |
|---|---|
| InChI | InChI=1S/C13H17NO4S3/c1-5-17-11(15)8-7(3)9(12(16)18-6-2)21-10(8)14-13(19)20-4/h5-6H2,1-4H3,(H,14,19) |
| InChIKey | JPKHXNKSJRCTKR-UHFFFAOYSA-N |
| Mol Weight | 347.46 g/mol |
| Molecular Formula | C13H17NO4S3 |
| Exact Mass | 347.031972 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | CdlJn4SiCS3 |
|---|---|
| Name | Methyl N-(4-methyl-3,5-dicarboxyethyl-thiophene)dithiocarbamate |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 347.031971549 u |
| Formula | C13H17NO4S3 |
| InChI | InChI=1S/C13H17NO4S3/c1-5-17-11(15)8-7(3)9(12(16)18-6-2)21-10(8)14-13(19)20-4/h5-6H2,1-4H3,(H,14,19) |
| InChIKey | JPKHXNKSJRCTKR-UHFFFAOYSA-N |
| Molecular Weight | 347.462 g/mol |
| SMILES | C1(=C(C(C)=C(S1)C(=O)OCC)C(=O)OCC)NC(=S)SC |