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4-CYANO-3-METHYL-5-PHENYLISOTHIAZOLE
SpectraBase Compound ID Cm8RKyHNEqW
InChI InChI=1S/C11H8N2S/c1-8-10(7-12)11(14-13-8)9-5-3-2-4-6-9/h2-6H,1H3
InChIKey FCQQGDPBAZWSET-UHFFFAOYSA-N
Mol Weight 200.26 g/mol
Molecular Formula C11H8N2S
Exact Mass 200.040819 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID HAMv4OvVgBK
Name 4-CYANO-3-METHYL-5-PHENYLISOTHIAZOLE
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Formula C11H8N2S
InChI InChI=1S/C11H8N2S/c1-8-10(7-12)11(14-13-8)9-5-3-2-4-6-9/h2-6H,1H3
InChIKey FCQQGDPBAZWSET-UHFFFAOYSA-N
Instrument Name Bruker WP-80
Literature Reference JURGEN VOSS, PETER MISCHKE, GUNADI ADIWIDJAJA (1986) Phosphorus and Sulfur:v.27, N3, 261-274.
NMR Standard not reported
Origin Chemical Concepts. A Wiley Division. Weinheim, Germany
Solvent CDCl3 chloroform-d