| SpectraBase Compound ID | 9aSNKsYfFQf |
|---|---|
| InChI | InChI=1S/C7H11NO2S/c1-2-10-7(9)4-3-5-8-6-11/h2-5H2,1H3 |
| InChIKey | FAGABVVHWPYGBK-UHFFFAOYSA-N |
| Mol Weight | 173.23 g/mol |
| Molecular Formula | C7H11NO2S |
| Exact Mass | 173.05105 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | BWjFgOYtFoM |
|---|---|
| Name | Ethyl 4-isothiocyanatobutyrate |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 173.051049770 u |
| Formula | C7H11NO2S |
| InChI | InChI=1S/C7H11NO2S/c1-2-10-7(9)4-3-5-8-6-11/h2-5H2,1H3 |
| InChIKey | FAGABVVHWPYGBK-UHFFFAOYSA-N |
| Molecular Weight | 173.230 g/mol |
| SMILES | C(N=C=S)CCC(OCC)=O |