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1-[(5-METHYL-1,3,4-THIADIAZOL-2-YL)-THIOACETYL]-3-(2-THIENYL)-5-(4-CHLOROPHENYL)-2-PYRAZOLINE
SpectraBase Compound ID Aa7xYJh3xzY
InChI InChI=1S/C18H15ClN4OS3/c1-11-20-21-18(27-11)26-10-17(24)23-15(12-4-6-13(19)7-5-12)9-14(22-23)16-3-2-8-25-16/h2-8,15H,9-10H2,1H3
InChIKey DHPIFOGGMGRTNL-UHFFFAOYSA-N
Mol Weight 434.98 g/mol
Molecular Formula C18H15ClN4OS3
Exact Mass 434.009652 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 26uCQJK5UKv
Name 1-[(5-METHYL-1,3,4-THIADIAZOL-2-YL)-THIOACETYL]-3-(2-THIENYL)-5-(4-CHLOROPHENYL)-2-PYRAZOLINE
Compound Number 6
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C18H15ClN4OS3
InChI InChI=1S/C18H15ClN4OS3/c1-11-20-21-18(27-11)26-10-17(24)23-15(12-4-6-13(19)7-5-12)9-14(22-23)16-3-2-8-25-16/h2-8,15H,9-10H2,1H3
InChIKey DHPIFOGGMGRTNL-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 434.976 g/mol
Solvent DMSO-D6
Source File Reference UWPA5268