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3-PHENYLISOTHIAZOLE

View entire compound with spectra: 1 NMR, and 2 MS (GC)

3-PHENYLISOTHIAZOLE
SpectraBase Compound ID K5ZMyJxaBYh
InChI InChI=1S/C9H7NS/c1-2-4-8(5-3-1)9-6-7-11-10-9/h1-7H
InChIKey QTRJTMPLVIRDHO-UHFFFAOYSA-N
Mol Weight 161.22 g/mol
Molecular Formula C9H7NS
Exact Mass 161.02992 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 75VJAJR9Jil
Name 3-PHENYLISOTHIAZOLE
Compound Number 4
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C9H7NS
InChI InChI=1S/C9H7NS/c1-2-4-8(5-3-1)9-6-7-11-10-9/h1-7H
InChIKey QTRJTMPLVIRDHO-UHFFFAOYSA-N
Literature Reference Author J.W.PAVLIK,P.TONGCHAROENSIRIKUL,N.P.BIRD,C.DAY,J.A.BARLTROP
Literature Reference Citation J.AM.CHEM.SOC.,116,2292(1994)
Literature Reference DOI 10.1021/ja00085a008
Molecular Weight 161.221 g/mol
Solvent CDCl3
Source File Reference UWSI20