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4-(3-CHLORO-4-METHOXYPHENYL)-1-[(TRICHLOROMETHYL)THIO]-delta2-1,2,4-TRIAZOLIN-5-ONE

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4-(3-CHLORO-4-METHOXYPHENYL)-1-[(TRICHLOROMETHYL)THIO]-delta2-1,2,4-TRIAZOLIN-5-ONE
SpectraBase Compound ID FT9NerQ8AEB
InChI InChI=1S/C10H7Cl4N3O2S/c1-19-8-3-2-6(4-7(8)11)16-5-15-17(9(16)18)20-10(12,13)14/h2-5H,1H3
InChIKey FKTWOVDPURUGTM-UHFFFAOYSA-N
Mol Weight 375.1 g/mol
Molecular Formula C10H7Cl4N3O2S
Exact Mass 372.901308 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID AAD3ZgIDQId
Name 2-Trichloromethylmercapto-4-(3-chloro-4-anisyl)-2,4-dihydro-1,2,4-triazolon-3
CAS Registry Number 80240-32-0
Comments WHE-6863-37
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Formula C10H7Cl4N3O2S
InChI InChI=1S/C10H7Cl4N3O2S/c1-19-8-3-2-6(4-7(8)11)16-5-15-17(9(16)18)20-10(12,13)14/h2-5H,1H3
InChIKey FKTWOVDPURUGTM-UHFFFAOYSA-N
Instrument Name Bruker WP-80
NMR Standard TMS
Origin Chemical Concepts. A Wiley Division. Weinheim, Germany
Solvent DMSO-D6