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1-(CHLOROMETHYL)-4-PHENYL-delta2-1,2,4-TRIAZOLINE-5-THIONE
SpectraBase Compound ID IR13BIViwVr
InChI InChI=1S/C9H8ClN3S/c10-6-13-9(14)12(7-11-13)8-4-2-1-3-5-8/h1-5,7H,6H2
InChIKey MUDZLZAGIBCBNC-UHFFFAOYSA-N
Mol Weight 225.7 g/mol
Molecular Formula C9H8ClN3S
Exact Mass 225.012746 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID CAj4P14NdBg
Name 1-(CHLOROMETHYL)-4-PHENYL-delta2-1,2,4-TRIAZOLINE-5-THIONE
Source of Sample R. Rupprecht, W. Bremser BASF Ludwigshafen (1982)
CAS Registry Number 2360-39-6
Copyright Copyright © 1980, 1981-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C9H8ClN3S
InChI InChI=1S/C9H8ClN3S/c10-6-13-9(14)12(7-11-13)8-4-2-1-3-5-8/h1-5,7H,6H2
InChIKey MUDZLZAGIBCBNC-UHFFFAOYSA-N
Molecular Weight 225.70
Solvent Chloroform-d; Reference=TMS; Temperature=Ambient Spectrometer= Bruker WM-360
Synonyms TRIAZOLINE-5-THIONE, D<2-1,2,4-, 1-/CHLOROMETHYL/-4-PHENYL-,