| SpectraBase Compound ID | 7qyZNLeE26V |
|---|---|
| InChI | InChI=1S/C9H9NOS/c10-7-8-1-3-9(4-2-8)12-6-5-11/h1-4,11H,5-6H2 |
| InChIKey | SDOPNFGSYJXHKK-UHFFFAOYSA-N |
| Mol Weight | 179.24 g/mol |
| Molecular Formula | C9H9NOS |
| Exact Mass | 179.040485 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | BIGhfnFHnkS |
|---|---|
| Name | 4-((2-Hydroxyethyl)thio)benzonitrile |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C9H9NOS |
| InChI | InChI=1S/C9H9NOS/c10-7-8-1-3-9(4-2-8)12-6-5-11/h1-4,11H,5-6H2 |
| InChIKey | SDOPNFGSYJXHKK-UHFFFAOYSA-N |
| Literature Reference DOI | 10.1021/acs.orglett.6b00208 |
| Molecular Weight | 179.237 g/mol |
| SMILES | OCCSc1ccc(C#N)cc1 |
| SPLASH | splash10-004s-2900000000-c9a3f44836287fe26207 |
| Source of Spectrum | A1-18-876/SM17-3d |
| Wiley ID | 1805246 |