![[(6-Ethoxy-1,3-benzothiazol-2-yl)sulfanyl]acetic acid](/api/spectrum/IkFrGTFHEsm/structure.png?h=300&w=458 "[(6-Ethoxy-1,3-benzothiazol-2-yl)sulfanyl]acetic acid")
| SpectraBase Compound ID | 4LZRxYQC6UF |
|---|---|
| InChI | InChI=1S/C11H11NO3S2/c1-2-15-7-3-4-8-9(5-7)17-11(12-8)16-6-10(13)14/h3-5H,2,6H2,1H3,(H,13,14) |
| InChIKey | XJYREGRATOEONE-UHFFFAOYSA-N |
| Mol Weight | 269.33 g/mol |
| Molecular Formula | C11H11NO3S2 |
| Exact Mass | 269.018036 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 | IkFrGTFHEsm |
|---|---|
| Name | [(6-Ethoxy-1,3-benzothiazol-2-yl)sulfanyl]acetic acid |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 269.018035563 u |
| Formula | C11H11NO3S2 |
| InChI | InChI=1S/C11H11NO3S2/c1-2-15-7-3-4-8-9(5-7)17-11(12-8)16-6-10(13)14/h3-5H,2,6H2,1H3,(H,13,14) |
| InChIKey | XJYREGRATOEONE-UHFFFAOYSA-N |
| SMILES | C1=2SC(=NC2C=CC(=C1)OCC)SCC(=O)O |