| SpectraBase Compound ID | 4DjcohQBeUG |
|---|---|
| InChI | InChI=1S/C9H6ClNOS/c1-6(12)13-9-4-2-3-8(10)7(9)5-11/h2-4H,1H3 |
| InChIKey | JVNQSVHQLSNNMT-UHFFFAOYSA-N |
| Mol Weight | 211.67 g/mol |
| Molecular Formula | C9H6ClNOS |
| Exact Mass | 210.985863 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | 6Pes0xayUbd |
|---|---|
| Name | 2-Cyano-3-chlorobenzenethiol-S-acetate |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C9H6ClNOS |
| InChI | InChI=1S/C9H6ClNOS/c1-6(12)13-9-4-2-3-8(10)7(9)5-11/h2-4H,1H3 |
| InChIKey | JVNQSVHQLSNNMT-UHFFFAOYSA-N |
| Molecular Weight | 211.666 g/mol |
| SMILES | c1(c(SC(=O)C)cccc1Cl)C#N |
| SPLASH | splash10-00kf-9400000000-12844cc075d76994bdbb |
| Source of Spectrum | KO-9-76-0 |
| Synonyms | S-(3-chloro-2-cyanophenyl) ethanethioate |
| Wiley ID | 1210160 |