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3-(PARA-METHOXYPHENYL)-5-(PROP-2-YNYLTHIO)-1H-1,2,4-TRIAZOLE

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3-(PARA-METHOXYPHENYL)-5-(PROP-2-YNYLTHIO)-1H-1,2,4-TRIAZOLE
SpectraBase Compound ID D2AVrqy6cnH
InChI InChI=1S/C12H11N3OS/c1-3-8-17-12-13-11(14-15-12)9-4-6-10(16-2)7-5-9/h1,4-7H,8H2,2H3,(H,13,14,15)
InChIKey MSNWLUBKOPHBBB-UHFFFAOYSA-N
Mol Weight 245.3 g/mol
Molecular Formula C12H11N3OS
Exact Mass 245.062283 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID Dl2YPmgiW1b
Name 3-(PARA-METHOXYPHENYL)-5-(PROP-2-YNYLTHIO)-1H-1,2,4-TRIAZOLE
Compound Number E5
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C12H11N3OS
InChI InChI=1S/C12H11N3OS/c1-3-8-17-12-13-11(14-15-12)9-4-6-10(16-2)7-5-9/h1,4-7H,8H2,2H3,(H,13,14,15)
InChIKey MSNWLUBKOPHBBB-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 245.299 g/mol
Solvent CDCl3:CD3OD
Source File Reference UWBT16438