![4-[(6-Chloro-1,3-benzothiazol-2-yl)amino]-4-oxobutanoic acid](/api/spectrum/J2zIbw6Ddza/structure.png?h=300&w=458 "4-[(6-Chloro-1,3-benzothiazol-2-yl)amino]-4-oxobutanoic acid")
| SpectraBase Compound ID | KfPTFh1MNlp |
|---|---|
| InChI | InChI=1S/C11H9ClN2O3S/c12-6-1-2-7-8(5-6)18-11(13-7)14-9(15)3-4-10(16)17/h1-2,5H,3-4H2,(H,16,17)(H,13,14,15) |
| InChIKey | GLIYHNXMOHFKLT-UHFFFAOYSA-N |
| Mol Weight | 284.72 g/mol |
| Molecular Formula | C11H9ClN2O3S |
| Exact Mass | 284.002241 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
Subscribe to view the full spectrum.
The full spectrum can only be viewed using a FREE account.
| SpectraBase Spectrum ID | J2zIbw6Ddza |
|---|---|
| Name | 4-[(6-Chloro-1,3-benzothiazol-2-yl)amino]-4-oxobutanoic acid |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 284.002241029 u |
| Formula | C11H9ClN2O3S |
| InChI | InChI=1S/C11H9ClN2O3S/c12-6-1-2-7-8(5-6)18-11(13-7)14-9(15)3-4-10(16)17/h1-2,5H,3-4H2,(H,16,17)(H,13,14,15) |
| InChIKey | GLIYHNXMOHFKLT-UHFFFAOYSA-N |
| SMILES | N(C1=NC=2C=CC(=CC2S1)Cl)C(CCC(=O)O)=O |