| SpectraBase Compound ID | 2ag8onGDKHo |
|---|---|
| InChI | InChI=1S/C9H8ClNOS/c1-2-13-9-11-7-5-6(10)3-4-8(7)12-9/h3-5H,2H2,1H3 |
| InChIKey | JJOKBDYWXNZQKS-UHFFFAOYSA-N |
| Mol Weight | 213.68 g/mol |
| Molecular Formula | C9H8ClNOS |
| Exact Mass | 213.001513 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | FvLCWVZDeT4 |
|---|---|
| Name | 5-Chloro-2-(ethylsulfanyl)-1,3-benzoxazole |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 213.001512755 u |
| Formula | C9H8ClNOS |
| InChI | InChI=1S/C9H8ClNOS/c1-2-13-9-11-7-5-6(10)3-4-8(7)12-9/h3-5H,2H2,1H3 |
| InChIKey | JJOKBDYWXNZQKS-UHFFFAOYSA-N |
| Molecular Weight | 213.682 g/mol |
| SMILES | C1(=NC=2C(O1)=CC=C(C2)Cl)SCC |