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1-(HYDROXYMETHYL)-4-PHENYL-2D2-1,2,4-TRIAZOLINE-5-THIONE
SpectraBase Compound ID J50RKiF1gcU
InChI InChI=1S/C9H9N3OS/c13-7-12-9(14)11(6-10-12)8-4-2-1-3-5-8/h1-6,13H,7H2
InChIKey SWFDWVVMDCPISH-UHFFFAOYSA-N
Mol Weight 207.25 g/mol
Molecular Formula C9H9N3OS
Exact Mass 207.046633 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 3673xXSf2K0
Name 1-(HYDROXYMETHYL)-4-PHENYL-2D2-1,2,4-TRIAZOLINE-5-THIONE
Source of Sample A. Hardt, W. Bremser BASF Ludwigshafen (1982)
CAS Registry Number 2416-79-7
Copyright Copyright © 1980, 1981-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C9H9N3OS
InChI InChI=1S/C9H9N3OS/c13-7-12-9(14)11(6-10-12)8-4-2-1-3-5-8/h1-6,13H,7H2
InChIKey SWFDWVVMDCPISH-UHFFFAOYSA-N
Molecular Weight 207.26
Solvent Chloroform-d; Reference=TMS; Temperature=Ambient Spectrometer= Bruker WM-360
Synonyms TRIAZOLINE-5-THIONE, D<2-1,2,4-, 1-/HYDROXYMETHYL/-4-PHENYL-,