| SpectraBase Compound ID | D8kvgnIRuhQ |
|---|---|
| InChI | InChI=1S/C7H5NS/c8-5-6-2-1-3-7(9)4-6/h1-4,9H |
| InChIKey | QXUOTIAFDYTLHW-UHFFFAOYSA-N |
| Mol Weight | 135.18 g/mol |
| Molecular Formula | C7H5NS |
| Exact Mass | 135.01427 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | 9rEzAJXHHDG |
|---|---|
| Name | 3-Mercaptobenzonitrile |
| Alternate Name(s) | 3-Sulfanylbenzenecarbonitrile 3-Sulfanylbenzonitrile |
| CAS Registry Number | 54435-88-0 |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C7H5NS |
| InChI | InChI=1S/C7H5NS/c8-5-6-2-1-3-7(9)4-6/h1-4,9H |
| InChIKey | QXUOTIAFDYTLHW-UHFFFAOYSA-N |
| Molecular Weight | 135.184 g/mol |
| SMILES | Sc1cc(C#N)ccc1 |
| SPLASH | splash10-000i-2900000000-52a90b16a518e2e08900 |
| Source of Spectrum | AN-84-215-0 |
| Wiley ID | 1135358 |