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2-TERT-BUTYL-5-PHENYLISOTHIAZOLIUM CHLORIDE
SpectraBase Compound ID JhWjpM87rqs
InChI InChI=1S/C13H16NS.ClH/c1-13(2,3)14-10-9-12(15-14)11-7-5-4-6-8-11;/h4-10H,1-3H3;1H/q+1;/p-1
InChIKey FUUUTAPRQWNZHD-UHFFFAOYSA-M
Mol Weight 253.79 g/mol
Molecular Formula C13H16ClNS
Exact Mass 253.069198 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID l9x5YIJfh2
Name 2-TERT-BUTYL-5-PHENYLISOTHIAZOLIUM CHLORIDE
Comments ##
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Formula C13H16ClNS
InChI InChI=1S/C13H16NS.ClH/c1-13(2,3)14-10-9-12(15-14)11-7-5-4-6-8-11;/h4-10H,1-3H3;1H/q+1;/p-1
InChIKey FUUUTAPRQWNZHD-UHFFFAOYSA-M
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