| SpectraBase Compound ID | 16fiX7OpfgM |
|---|---|
| InChI | InChI=1S/C5H5NS/c1-3-5(2)6-4-7/h3H,1-2H2 |
| InChIKey | RTNRNDYTDUPZFF-UHFFFAOYSA-N |
| Mol Weight | 111.16 g/mol |
| Molecular Formula | C5H5NS |
| Exact Mass | 111.01427 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | 6W8YTBlfBSk |
|---|---|
| Name | 2-Isothiocyanatobuta-1,3-diene |
| Comments | Less than 3 mono-isotopic peaks |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C5H5NS |
| InChI | InChI=1S/C5H5NS/c1-3-5(2)6-4-7/h3H,1-2H2 |
| InChIKey | RTNRNDYTDUPZFF-UHFFFAOYSA-N |
| Molecular Weight | 111.162 g/mol |
| SMILES | C(N=C=S)(C=C)=C |
| SPLASH | splash10-0w29-9700000000-751a670e5ca47060c4f4 |
| Source of Spectrum | C5-2002-1430-13 |
| Wiley ID | 1614812 |