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

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1-[(1-METHYL-1H-TETRAZOL-5-YL)-THIOACETYL]-3-(2-THIENYL)-5-(4-CHLOROPHENYL)-2-PYRAZOLINE
SpectraBase Compound ID 2wE1xrV8B1v
InChI InChI=1S/C17H15ClN6OS2/c1-23-17(19-21-22-23)27-10-16(25)24-14(11-4-6-12(18)7-5-11)9-13(20-24)15-3-2-8-26-15/h2-8,14H,9-10H2,1H3
InChIKey JGYSSXMCMPELHO-UHFFFAOYSA-N
Mol Weight 418.92 g/mol
Molecular Formula C17H15ClN6OS2
Exact Mass 418.043729 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID K2sTpaI0rAb
Name 1-[(1-METHYL-1H-TETRAZOL-5-YL)-THIOACETYL]-3-(2-THIENYL)-5-(4-CHLOROPHENYL)-2-PYRAZOLINE
Compound Number 2
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C17H15ClN6OS2
InChI InChI=1S/C17H15ClN6OS2/c1-23-17(19-21-22-23)27-10-16(25)24-14(11-4-6-12(18)7-5-11)9-13(20-24)15-3-2-8-26-15/h2-8,14H,9-10H2,1H3
InChIKey JGYSSXMCMPELHO-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 418.919 g/mol
Solvent DMSO-D6
Source File Reference UWPA5264