| SpectraBase Compound ID | B0QyqVayfrk |
|---|---|
| InChI | InChI=1S/C9H5NS/c1-2-8-3-5-9(6-4-8)10-7-11/h1,3-6H |
| InChIKey | LPBMGMWVULVCDA-UHFFFAOYSA-N |
| Mol Weight | 159.21 g/mol |
| Molecular Formula | C9H5NS |
| Exact Mass | 159.01427 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | 5i8diyeXTEu |
|---|---|
| Name | 1-ethynyl-4-isothiocyanyl benzene |
| Appearance | Pale-yellow solid |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C9H5NS |
| InChI | InChI=1S/C9H5NS/c1-2-8-3-5-9(6-4-8)10-7-11/h1,3-6H |
| InChIKey | LPBMGMWVULVCDA-UHFFFAOYSA-N |
| Instrument Name | LRMS |
| Ionization Type | EI |
| Molecular Weight | 159.206 g/mol |
| SMILES | c1c(ccc(c1)C#C)N=C=S |
| SPLASH | splash10-0a4i-2900000000-d7f06cd62e0b4062f845 |
| Source of Spectrum | CN109608295A |
| Wiley ID | 1872675 |