| SpectraBase Compound ID | 4yWx0BqxQPu |
|---|---|
| InChI | InChI=1S/C14H18N2O2S/c1-2-3-9-15-14-16(10-8-13(17)18)11-6-4-5-7-12(11)19-14/h4-7H,2-3,8-10H2,1H3,(H,17,18)/b15-14+ |
| InChIKey | BJSUTVYQTZAPIG-CCEZHUSRSA-N |
| Mol Weight | 278.37 g/mol |
| Molecular Formula | C14H18N2O2S |
| Exact Mass | 278.108899 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | L13bmzX8yCO |
|---|---|
| Name | 2-(N-Butylimino)-3-(2-carboxyethyl)-benzothiazoline |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 278.108899000 u |
| Formula | C14H18N2O2S |
| InChI | InChI=1S/C14H18N2O2S/c1-2-3-9-15-14-16(10-8-13(17)18)11-6-4-5-7-12(11)19-14/h4-7H,2-3,8-10H2,1H3,(H,17,18)/b15-14+ |
| InChIKey | BJSUTVYQTZAPIG-CCEZHUSRSA-N |
| SMILES | C=12N(\C(SC1C=CC=C2)=N/CCCC)CCC(=O)O |