John Wiley & Sons, Inc. SpectraBase; SpectraBase Compound ID=276ypKjjn4J SpectraBase Spectrum ID=2v39zNkgSbj

(accessed ).
3-(PARA-METHOXYPHENYL)-1,4-DIHYDRO-1H,4H-1,2,4-TRIAZOL-5-THIONE
SpectraBase Compound ID 276ypKjjn4J
InChI InChI=1S/C9H9N3OS/c1-13-7-4-2-6(3-5-7)8-10-9(14)12-11-8/h2-5H,1H3,(H2,10,11,12,14)
InChIKey USRWSSVQAGNWRI-UHFFFAOYSA-N
Mol Weight 207.25 g/mol
Molecular Formula C9H9N3OS
Exact Mass 207.046634 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 2v39zNkgSbj
Name 3-(PARA-METHOXYPHENYL)-1,4-DIHYDRO-1H,4H-1,2,4-TRIAZOL-5-THIONE
Compound Number B5
Copyright Copyright © 2016-2021 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C9H9N3OS
InChI InChI=1S/C9H9N3OS/c1-13-7-4-2-6(3-5-7)8-10-9(14)12-11-8/h2-5H,1H3,(H2,10,11,12,14)
InChIKey USRWSSVQAGNWRI-UHFFFAOYSA-N
Literature Reference Author P.M.CHAUDHARY,S.R.CHAVAN,M.KAVITHA,S.P.MAYBHATE,S.R.DESHPAND E,A.P.LIKHITE,P.R.
Literature Reference Citation MAGN.RES.CHEM.,46,1168(2008)
Literature Reference DOI 10.1002/mrc.2307
Molecular Weight 207.250 g/mol
Solvent DMSO-D6
Source File Reference UWBT16433
SpectraBase Batch ID BDnU59h1nzu