![Acetonitrile, [[2-(1H-pyrrol-1-yl)phenyl]thio]-](/api/spectrum/K10tw7FyJGC/structure.png?h=300&w=458 "Acetonitrile, [[2-(1H-pyrrol-1-yl)phenyl]thio]-")
| SpectraBase Compound ID | 2caY7OgZjj9 |
|---|---|
| InChI | InChI=1S/C12H10N2S/c13-7-10-15-12-6-2-1-5-11(12)14-8-3-4-9-14/h1-6,8-9H,10H2 |
| InChIKey | MZBPIOGSDSRUCN-UHFFFAOYSA-N |
| Mol Weight | 214.29 g/mol |
| Molecular Formula | C12H10N2S |
| Exact Mass | 214.05647 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | K10tw7FyJGC |
|---|---|
| Name | Acetonitrile, [[2-(1H-pyrrol-1-yl)phenyl]thio]- |
| CAS Registry Number | 80008-52-2 |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C12H10N2S |
| InChI | InChI=1S/C12H10N2S/c13-7-10-15-12-6-2-1-5-11(12)14-8-3-4-9-14/h1-6,8-9H,10H2 |
| InChIKey | MZBPIOGSDSRUCN-UHFFFAOYSA-N |
| Molecular Weight | 214.286 g/mol |
| SMILES | c1(-[n]2cccc2)c(SCC#N)cccc1 |
| SPLASH | splash10-00di-4940000000-5cc8df4d942fc8d0d38a |
| Source of Spectrum | Y-23-698-0 |
| Wiley ID | 1213548 |