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2-(Dichloro-fluoro-methylmercapto)-4-(3-tert-butyl-phenyl)-2,4-dihydro-1,2,4-triazolone-3

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2-(Dichloro-fluoro-methylmercapto)-4-(3-tert-butyl-phenyl)-2,4-dihydro-1,2,4-triazolone-3
SpectraBase Compound ID 7b69shpUgJl
InChI InChI=1S/C13H14Cl2FN3OS/c1-12(2,3)9-5-4-6-10(7-9)18-8-17-19(11(18)20)21-13(14,15)16/h4-8H,1-3H3
InChIKey IPMDOUBYIYUCIF-UHFFFAOYSA-N
Mol Weight 350.24 g/mol
Molecular Formula C13H14Cl2FN3OS
Exact Mass 349.021867 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 5qdADBsoPl3
Name 2-(Dichloro-fluoro-methylmercapto)-4-(3-tert-butyl-phenyl)-2,4-dihydro-1,2,4-triazolone-3
CAS Registry Number 80240-36-4
Comments WHE-6890-36
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Formula C13H14Cl2FN3OS
InChI InChI=1S/C13H14Cl2FN3OS/c1-12(2,3)9-5-4-6-10(7-9)18-8-17-19(11(18)20)21-13(14,15)16/h4-8H,1-3H3
InChIKey IPMDOUBYIYUCIF-UHFFFAOYSA-N
Instrument Name Bruker WP-80
NMR Standard TMS
Origin Chemical Concepts. A Wiley Division. Weinheim, Germany
Solvent CDCl3