| SpectraBase Compound ID | Bk1RA53wXVT |
|---|---|
| InChI | InChI=1S/C9H5NS/c1-2-8-5-3-4-6-9(8)10-7-11/h1,3-6H |
| InChIKey | GEDFSFOANPEBKE-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 | 67SbkNVbNKV |
|---|---|
| Name | 1-Ethynyl-2-isothiocyanatobenzene |
| Copyright | Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C9H5NS |
| InChI | InChI=1S/C9H5NS/c1-2-8-5-3-4-6-9(8)10-7-11/h1,3-6H |
| InChIKey | GEDFSFOANPEBKE-UHFFFAOYSA-N |
| Literature Reference DOI | 10.1021/ol7024668 |
| Molecular Weight | 159.206 g/mol |
| SMILES | c1cc(C#C)c(cc1)N=C=S |
| SPLASH | splash10-0a4i-0900000000-b9cdb3230b3f316bcb3d |
| Source of Spectrum | A1-9-5513/SMS2-1a |
| Wiley ID | 1758875 |