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1-[(1-PHENYL-1H-TETRAZOL-5-YL)-THIOACETYL]-3-(2-THIENYL)-5-(4-CHLOROPHENYL)-2-PYRAZOLINE
SpectraBase Compound ID JWv7JpjlkFw
InChI InChI=1S/C22H17ClN6OS2/c23-16-10-8-15(9-11-16)19-13-18(20-7-4-12-31-20)25-29(19)21(30)14-32-22-24-26-27-28(22)17-5-2-1-3-6-17/h1-12,19H,13-14H2
InChIKey PGDGKWCKIOLYQR-UHFFFAOYSA-N
Mol Weight 480.99 g/mol
Molecular Formula C22H17ClN6OS2
Exact Mass 480.059379 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 2pskEFxmDlH
Name 1-[(1-PHENYL-1H-TETRAZOL-5-YL)-THIOACETYL]-3-(2-THIENYL)-5-(4-CHLOROPHENYL)-2-PYRAZOLINE
Compound Number 3
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C22H17ClN6OS2
InChI InChI=1S/C22H17ClN6OS2/c23-16-10-8-15(9-11-16)19-13-18(20-7-4-12-31-20)25-29(19)21(30)14-32-22-24-26-27-28(22)17-5-2-1-3-6-17/h1-12,19H,13-14H2
InChIKey PGDGKWCKIOLYQR-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 480.990 g/mol
Solvent DMSO-D6
Source File Reference UWPA5265