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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 43qDTsOfXUO
Name 4-(3-CHLORO-4-METHOXYPHENYL)-1-[(TRICHLOROMETHYL)THIO]-delta2-1,2,4-TRIAZOLIN-5-ONE
Source of Sample R. Rupprecht, W. Bremser BASF Ludwigshafen (1980)
CAS Registry Number 80240-32-0
Copyright Copyright © 1980, 1981-2024 John Wiley & Sons, Inc. 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
Molecular Weight 375.06
Solvent Dimethyl sulfoxide-d6; Reference=TMS; Temperature=Ambient Spectrometer= Bruker WP-80
Synonyms TRIAZOLIN-5-ONE, D<2-1,2,4-, 4-/3-CHLORO-4-METHOXYPHENYL/-1-//TRICHLOROMETHYL/THIO/-,