| SpectraBase Compound ID | 99svlu8bZH |
|---|---|
| InChI | InChI=1S/C15H9NS/c17-12-16-15-9-5-4-8-14(15)11-10-13-6-2-1-3-7-13/h1-9H |
| InChIKey | QWWYRSZFQDJYDL-UHFFFAOYSA-N |
| Mol Weight | 235.3 g/mol |
| Molecular Formula | C15H9NS |
| Exact Mass | 235.04557 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | BlqX7sR7wPX |
|---|---|
| Name | 1-isothiocyanato-2-(2-phenylethynyl)benzene |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C15H9NS |
| InChI | InChI=1S/C15H9NS/c17-12-16-15-9-5-4-8-14(15)11-10-13-6-2-1-3-7-13/h1-9H |
| InChIKey | QWWYRSZFQDJYDL-UHFFFAOYSA-N |
| Molecular Weight | 235.304 g/mol |
| SMILES | c1(c(cccc1)C#Cc1ccccc1)N=C=S |
| SPLASH | splash10-000i-0190000000-c4f66d56fc5cf74878e5 |
| Source of Spectrum | F-68-3462-9 |
| Wiley ID | 1572433 |