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1-[(1-(4-HYDROXYPHENYL)-1H-TETRAZOL-5-YL)-THIOACETYL]-3-(2-THIENYL)-5-(4-CHLOROPHENYL)-2-PYRAZOLINE

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1-[(1-(4-HYDROXYPHENYL)-1H-TETRAZOL-5-YL)-THIOACETYL]-3-(2-THIENYL)-5-(4-CHLOROPHENYL)-2-PYRAZOLINE
SpectraBase Compound ID BeBiX940ICD
InChI InChI=1S/C22H17ClN6O2S2/c23-15-5-3-14(4-6-15)19-12-18(20-2-1-11-32-20)25-29(19)21(31)13-33-22-24-26-27-28(22)16-7-9-17(30)10-8-16/h1-11,19,30H,12-13H2
InChIKey BHJOTMYLHBIZQN-UHFFFAOYSA-N
Mol Weight 496.99 g/mol
Molecular Formula C22H17ClN6O2S2
Exact Mass 496.054294 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 4O1mHSsVVrH
Name 1-[(1-(4-HYDROXYPHENYL)-1H-TETRAZOL-5-YL)-THIOACETYL]-3-(2-THIENYL)-5-(4-CHLOROPHENYL)-2-PYRAZOLINE
Compound Number 4
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C22H17ClN6O2S2
InChI InChI=1S/C22H17ClN6O2S2/c23-15-5-3-14(4-6-15)19-12-18(20-2-1-11-32-20)25-29(19)21(31)13-33-22-24-26-27-28(22)16-7-9-17(30)10-8-16/h1-11,19,30H,12-13H2
InChIKey BHJOTMYLHBIZQN-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 496.989 g/mol
Solvent DMSO-D6
Source File Reference UWPA5266