| SpectraBase Compound ID | 3voQBE49oY9 |
|---|---|
| InChI | InChI=1S/C12H8N2OS/c15-12(11-6-3-7-13-11)9-4-1-2-5-10(9)14-8-16/h1-7,13H |
| InChIKey | QTJAQFJGBBIURE-UHFFFAOYSA-N |
| Mol Weight | 228.27 g/mol |
| Molecular Formula | C12H8N2OS |
| Exact Mass | 228.035734 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | 3kW58UWTKpa |
|---|---|
| Name | 2-(Isothiocyanato-phenyl)(1H-pyrrol-2-yl)methanone |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C12H8N2OS |
| InChI | InChI=1S/C12H8N2OS/c15-12(11-6-3-7-13-11)9-4-1-2-5-10(9)14-8-16/h1-7,13H |
| InChIKey | QTJAQFJGBBIURE-UHFFFAOYSA-N |
| Molecular Weight | 228.269 g/mol |
| SMILES | [nH]1cccc1C(c1c(N=C=S)cccc1)=O |
| SPLASH | splash10-004i-3390000000-81b19185a721db8380d0 |
| Source of Spectrum | F-67-7808-9 |
| Wiley ID | 1687662 |