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4-PHENYL-delta2-1,2,4-TRIAZOLINE-5-THIONE

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4-PHENYL-delta2-1,2,4-TRIAZOLINE-5-THIONE
SpectraBase Compound ID JWc4nmxOoxH
InChI InChI=1S/C8H7N3S/c12-8-10-9-6-11(8)7-4-2-1-3-5-7/h1-6H,(H,10,12)
InChIKey PUGUFBAPNSPHHY-UHFFFAOYSA-N
Mol Weight 177.22 g/mol
Molecular Formula C8H7N3S
Exact Mass 177.036068 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 5TQ61RpSM1o
Name 4-PHENYL-delta2-1,2,4-TRIAZOLINE-5-THIONE
Source of Sample R. Rupprecht, W. Bremser BASF Ludwigshafen (1982)
CAS Registry Number 2160-13-6
Copyright Copyright © 1980, 1981-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C8H7N3S
InChI InChI=1S/C8H7N3S/c12-8-10-9-6-11(8)7-4-2-1-3-5-7/h1-6H,(H,10,12)
InChIKey PUGUFBAPNSPHHY-UHFFFAOYSA-N
Molecular Weight 177.23
Solvent Dimethyl sulfoxide-d6; Reference=TMS; Temperature=Ambient Spectrometer= Bruker WM-360
Synonyms TRIAZOLINE-5-THIONE, D<2-1,2,4-, 4-PHENYL-,