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4-Cyanoisothiazole

View entire compound with spectra: 4 NMR, and 1 MS (GC)

4-Cyanoisothiazole
SpectraBase Compound ID IXKtxpNPaRa
InChI InChI=1S/C4H2N2S/c5-1-4-2-6-7-3-4/h2-3H
InChIKey OCYPFRDEUKBLNI-UHFFFAOYSA-N
Mol Weight 110.13 g/mol
Molecular Formula C4H2N2S
Exact Mass 109.993869 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 1Emf3CfZPQm
Name 4-CYANOISOTHIAZOLE
Copyright Copyright © 2016-2025 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C4H2N2S
InChI InChI=1S/C4H2N2S/c5-1-4-2-6-7-3-4/h2-3H
InChIKey OCYPFRDEUKBLNI-UHFFFAOYSA-N
Literature Reference Author R.FAURE,J.-R.LLINAS,E.-J.VINCENT,M.RAJZMANN
Literature Reference Citation CAN.J.CHEM.,53,1677(1975)
Literature Reference DOI 10.1139/v75-236
Molecular Weight 110.133 g/mol
Solvent ACETONE-D6
Source File Reference UNIW11218