| 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 |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | IjuTLAwOxn1 |
|---|---|
| Name | 3-isothiocyanato-3-methylbut-1-yne |
| Copyright | Copyright © 2016-2025 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C6H7NS |
| InChI | InChI=1S/C6H7NS/c1-4-6(2,3)7-5-8/h1H,2-3H3 |
| InChIKey | XHOSLWVYNYNQSM-UHFFFAOYSA-N |
| Literature Reference Author | ORGANIC_CHEMISTRY_(NMR-DEPARTMENT);UNIVERSITY_MAINZ |
| Literature Reference Citation | UNI_MAINZ,INTERNAL_DB(2008) |
| Molecular Weight | 125.188 g/mol |
| Source File Reference | MHKO17811 |