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1-(PROP-2-YNYL)-5-(PROP-2-YNYLTHIO)-1H-1,2,4-TRIAZOLE

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1-(PROP-2-YNYL)-5-(PROP-2-YNYLTHIO)-1H-1,2,4-TRIAZOLE
SpectraBase Compound ID xb44UgiOiN
InChI InChI=1S/C8H7N3S/c1-3-5-11-8(9-7-10-11)12-6-4-2/h1-2,7H,5-6H2
InChIKey IWVFDYUORFNBIC-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 6WM5AWsNPFv
Name 1-(PROP-2-YN-YL)-5-(PROP-2-YN-YL-THIO)-1H-1,2,4-TRIAZOLE;R1=H
Compound Number 3B
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C8H7N3S
InChI InChI=1S/C8H7N3S/c1-3-5-11-8(9-7-10-11)12-6-4-2/h1-2,7H,5-6H2
InChIKey IWVFDYUORFNBIC-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 177.224 g/mol
Solvent CDCl3
Source File Reference UWIR13272