| SpectraBase Compound ID | AYaY9ffSwz4 |
|---|---|
| InChI | InChI=1S/C10H15NO4S/c1-3-14-9(12)6-5-8(11-7-16)10(13)15-4-2/h8H,3-6H2,1-2H3 |
| InChIKey | BEIMBFWLTYKYLU-UHFFFAOYSA-N |
| Mol Weight | 245.29 g/mol |
| Molecular Formula | C10H15NO4S |
| Exact Mass | 245.072179 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | FMWCLPQEvD8 |
|---|---|
| Name | Diethyl 2-isothiocyanatoglutarate |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 245.072179137 u |
| Formula | C10H15NO4S |
| InChI | InChI=1S/C10H15NO4S/c1-3-14-9(12)6-5-8(11-7-16)10(13)15-4-2/h8H,3-6H2,1-2H3 |
| InChIKey | BEIMBFWLTYKYLU-UHFFFAOYSA-N |
| Molecular Weight | 245.293 g/mol |
| SMILES | CCOC(C(CCC(=O)OCC)N=C=S)=O |