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4-PHENYL-1-[(TRICHLOROMETHYL)THIO]-delta2-1,2,4-TRIAZOLIN-5-ONE

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4-PHENYL-1-[(TRICHLOROMETHYL)THIO]-delta2-1,2,4-TRIAZOLIN-5-ONE
SpectraBase Compound ID 4KShEwpio1Y
InChI InChI=1S/C9H6Cl3N3OS/c10-9(11,12)17-15-8(16)14(6-13-15)7-4-2-1-3-5-7/h1-6H
InChIKey WRTRUXXMIXUFLY-UHFFFAOYSA-N
Mol Weight 310.59 g/mol
Molecular Formula C9H6Cl3N3OS
Exact Mass 308.929716 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID Kx3pvAJGMoG
Name 2-Trichloromethylthio-4-phenyl-2,4-dihydro-3H-1,2,4-triazolone-3
CAS Registry Number 80240-20-6
Comments WHE-6166-66
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Formula C9H6Cl3N3OS
InChI InChI=1S/C9H6Cl3N3OS/c10-9(11,12)17-15-8(16)14(6-13-15)7-4-2-1-3-5-7/h1-6H
InChIKey WRTRUXXMIXUFLY-UHFFFAOYSA-N
Instrument Name Bruker WH-270
NMR Standard TMS
Origin Chemical Concepts. A Wiley Division. Weinheim, Germany
Solvent CDCl3/DMSO-D6