| SpectraBase Compound ID | EvS4299fFQg |
|---|---|
| InChI | InChI=1S/C11H12N2O2S/c1-12-11-13(7-6-10(14)15)8-4-2-3-5-9(8)16-11/h2-5H,6-7H2,1H3,(H,14,15)/b12-11+ |
| InChIKey | HFPPDPCKBNONFR-VAWYXSNFSA-N |
| Mol Weight | 236.29 g/mol |
| Molecular Formula | C11H12N2O2S |
| Exact Mass | 236.061949 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
View the Full Spectrum for FREE!
The full spectrum can only be viewed using a FREE account.
| SpectraBase Spectrum ID | 3eb3V1BRk52 |
|---|---|
| Name | 2-(N-Methyl-N-(2-carboxyethyl)amino)benzothiazoline |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 236.061948806 u |
| Formula | C11H12N2O2S |
| InChI | InChI=1S/C11H12N2O2S/c1-12-11-13(7-6-10(14)15)8-4-2-3-5-9(8)16-11/h2-5H,6-7H2,1H3,(H,14,15)/b12-11+ |
| InChIKey | HFPPDPCKBNONFR-VAWYXSNFSA-N |
| Molecular Weight | 236.289 g/mol |
| SMILES | C=12N(\C(SC1C=CC=C2)=N/C)CCC(=O)O |