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1-[(1-(2-(DIMETHYLAMINO)-ETHYL)-1H-TETRAZOL-5-YL)-THIOACETYL]-3-(2-THIENYL)-5-(4-CHLOROPHENYL)-2-PYRAZOLINE
SpectraBase Compound ID Bx3rfyfdEbE
InChI InChI=1S/C20H22ClN7OS2/c1-26(2)9-10-27-20(22-24-25-27)31-13-19(29)28-17(14-5-7-15(21)8-6-14)12-16(23-28)18-4-3-11-30-18/h3-8,11,17H,9-10,12-13H2,1-2H3
InChIKey PHOCAGUUJUJWNE-UHFFFAOYSA-N
Mol Weight 476.02 g/mol
Molecular Formula C20H22ClN7OS2
Exact Mass 475.101578 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID JT4bYolkpmK
Name 1-[(1-(2-(DIMETHYLAMINO)-ETHYL)-1H-TETRAZOL-5-YL)-THIOACETYL]-3-(2-THIENYL)-5-(4-CHLOROPHENYL)-2-PYRAZOLINE
Compound Number 5
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C20H22ClN7OS2
InChI InChI=1S/C20H22ClN7OS2/c1-26(2)9-10-27-20(22-24-25-27)31-13-19(29)28-17(14-5-7-15(21)8-6-14)12-16(23-28)18-4-3-11-30-18/h3-8,11,17H,9-10,12-13H2,1-2H3
InChIKey PHOCAGUUJUJWNE-UHFFFAOYSA-N
Literature Reference Author M.KARABACAK,M.D.ALTINTOP,H.I.CIFTCI,R.KOGA,M.OTSUKA,M.FUJITA ,A.OEZDEMIR
Literature Reference Citation MOLECULES,20,19066(2015)
Literature Reference DOI 10.3390/molecules201019066
Molecular Weight 476.014 g/mol
Solvent DMSO-D6
Source File Reference UWPA5267