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5-Phenylisothiazole

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

5-Phenylisothiazole
SpectraBase Compound ID 9iH51vl0RvO
InChI InChI=1S/C9H7NS/c1-2-4-8(5-3-1)9-6-7-10-11-9/h1-7H
InChIKey GCJTZGLHWFXNSS-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 EW82SpprpZJ
Name GCJTZGLHWFXNSS-UHFFFAOYSA-N
Compound Number 9F
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)9-6-7-10-11-9/h1-7H
InChIKey GCJTZGLHWFXNSS-UHFFFAOYSA-N
Literature Reference Author B.SCHULZE,G.KIRSTEN,S.KIRRBACH,A.RAHM,H.HEIMGARTNER
Literature Reference Citation HELV.CHIM.ACTA,74,1059(1991)
Literature Reference DOI 10.1002/hlca.19910740515
Molecular Weight 161.221 g/mol
Solvent CDCl3
Source File Reference UWVP304