| SpectraBase Compound ID | LWBVJL0v1k0 |
|---|---|
| InChI | InChI=1S/C6H7NS/c1-4-6(2,3)7-5-8/h1H,2-3H3 |
| InChIKey | XHOSLWVYNYNQSM-UHFFFAOYSA-N |
| Mol Weight | 125.19 g/mol |
| Molecular Formula | C6H7NS |
| Exact Mass | 125.02992 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | GAKWNs2135r |
|---|---|
| Name | 3-isothiocyanato-3-methyl-1-butyne |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C6H7NS |
| InChI | InChI=1S/C6H7NS/c1-4-6(2,3)7-5-8/h1H,2-3H3 |
| InChIKey | XHOSLWVYNYNQSM-UHFFFAOYSA-N |
| Molecular Weight | 125.189 g/mol |
| SMILES | C(N=C=S)(C#C)(C)C |
| SPLASH | splash10-00kf-9100000000-6854e422d5d030de5420 |
| Source of Spectrum | K1-2001-1095-3 |
| Synonyms | 3-isothiocyanato-3-methylbut-1-yne |
| Wiley ID | 846801 |