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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 Hupoh0Lw2c2
Name 3-(PARA-METHOXYPHENYL)-5-(PROP-2-YN-1-SULFANYL)-1H-1,2,4-TRIAZOLE;R1=P-OMEC6H4
Compound Number 2A
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 U.D.PHALGUNE,K.VANKA,P.R.RAJAMOHANAN
Literature Reference Citation MAGN.RES.CHEM.,51,767(2013)
Literature Reference DOI 10.1002/mrc.4012
Molecular Weight 245.299 g/mol
Solvent DMSO-D6
Source File Reference UWIR13270