| SpectraBase Compound ID | GVQmvwZFLNV |
|---|---|
| InChI | InChI=1S/C13H16N2O2S/c1-2-8-14-13-15(9-7-12(16)17)10-5-3-4-6-11(10)18-13/h3-6H,2,7-9H2,1H3,(H,16,17)/b14-13+ |
| InChIKey | OMPBXAGYSHGTOL-BUHFOSPRSA-N |
| Mol Weight | 264.34 g/mol |
| Molecular Formula | C13H16N2O2S |
| Exact Mass | 264.093249 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 8X6tqskhax1 |
|---|---|
| Name | 2-(N-Propylimino)-3-carboxyethyl-benzothiazoline |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 264.093248935 u |
| Formula | C13H16N2O2S |
| InChI | InChI=1S/C13H16N2O2S/c1-2-8-14-13-15(9-7-12(16)17)10-5-3-4-6-11(10)18-13/h3-6H,2,7-9H2,1H3,(H,16,17)/b14-13+ |
| InChIKey | OMPBXAGYSHGTOL-BUHFOSPRSA-N |
| Molecular Weight | 264.343 g/mol |
| SMILES | C=12N(\C(SC1C=CC=C2)=N/CCC)CCC(=O)O |