| SpectraBase Compound ID | KFd4v7SyZdi |
|---|---|
| InChI | InChI=1S/C12H12ClNO4S/c1-17-5-6-18-10(15)7-14-11-8(13)3-2-4-9(11)19-12(14)16/h2-4H,5-7H2,1H3 |
| InChIKey | NWSISAIEIZXUKS-UHFFFAOYSA-N |
| Mol Weight | 301.74 g/mol |
| Molecular Formula | C12H12ClNO4S |
| Exact Mass | 301.017557 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | Asm0871wKXF |
|---|---|
| Name | 2-Methoxyethyl (4-chloro-2-oxo-1,3-benzothiazol-3(2H)-yl)acetate |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 301.017556740 u |
| Formula | C12H12ClNO4S |
| InChI | InChI=1S/C12H12ClNO4S/c1-17-5-6-18-10(15)7-14-11-8(13)3-2-4-9(11)19-12(14)16/h2-4H,5-7H2,1H3 |
| InChIKey | NWSISAIEIZXUKS-UHFFFAOYSA-N |
| SMILES | C(N1C2=C(C=CC=C2SC1=O)Cl)C(OCCOC)=O |