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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 82LdWFECFWF
Name 5-PHENYLISOTHIAZOLE
Comments -S
Copyright Copyright © 2002-2025 Wiley-VCH GmbH. 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
Instrument Name Jeol FX-90
Literature Reference M.KOMATSU, N.HARADA, H.KASHIWAGI, Y.OHSHIRO, T.AGAWA (1983) Phosphorus andSulfur: v.16, N1, 119-133.
NMR Standard TMS
Origin Chemical Concepts. A Wiley Division. Weinheim, Germany
Solvent CDCl3 chloroform-d