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4-(3-chloro-4-fluorophenyl)-1-[(5-piperidino-2H-tetrazol-2-yl)acetyl]-3-thiosemicarbazide
SpectraBase Compound ID IbuqwzNEZfm
InChI InChI=1S/C15H18ClFN8OS/c16-11-8-10(4-5-12(11)17)18-15(27)21-19-13(26)9-25-22-14(20-23-25)24-6-2-1-3-7-24/h4-5,8H,1-3,6-7,9H2,(H,19,26)(H2,18,21,27)
InChIKey CKARNJQSTWGEJL-UHFFFAOYSA-N
Mol Weight 412.88 g/mol
Molecular Formula C15H18ClFN8OS
Exact Mass 412.099684 g/mol

1H Nuclear Magnetic Resonance (NMR) Chemical Shifts

1H Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID K1zM1v1xlbG
Name 4-(3-chloro-4-fluorophenyl)-1-[(5-piperidino-2H-tetrazol-2-yl)acetyl]-3-thiosemicarbazide
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Formula C15H18ClFN8OS
InChI InChI=1S/C15H18ClFN8OS/c16-11-8-10(4-5-12(11)17)18-15(27)21-19-13(26)9-25-22-14(20-23-25)24-6-2-1-3-7-24/h4-5,8H,1-3,6-7,9H2,(H,19,26)(H2,18,21,27)
InChIKey CKARNJQSTWGEJL-UHFFFAOYSA-N
Instrument Name Varian CFT-20
Sadtler NMR Number 48030M
Solvent DMSO-d6