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propanamide, 3-[[1-(4-chlorophenyl)-1H-tetrazol-5-yl]thio]-N-(4-fluorophenyl)-
SpectraBase Compound ID 7fPbaNRsa0e
InChI InChI=1S/C16H13ClFN5OS/c17-11-1-7-14(8-2-11)23-16(20-21-22-23)25-10-9-15(24)19-13-5-3-12(18)4-6-13/h1-8H,9-10H2,(H,19,24)
InChIKey JRSHKAANDFBBBK-UHFFFAOYSA-N
Mol Weight 377.83 g/mol
Molecular Formula C16H13ClFN5OS
Exact Mass 377.051337 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 5QuOJ3QzlCu
Name Propanamide, 3-[[1-(4-chlorophenyl)-1H-tetrazol-5-yl]thio]-N-(4-fluorophenyl)-
Comments Computed using HOSE algorithm
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Exact Mass 377.051337095 u
Formula C16H13ClFN5OS
InChI InChI=1S/C16H13ClFN5OS/c17-11-1-7-14(8-2-11)23-16(20-21-22-23)25-10-9-15(24)19-13-5-3-12(18)4-6-13/h1-8H,9-10H2,(H,19,24)
InChIKey JRSHKAANDFBBBK-UHFFFAOYSA-N
Molecular Weight 377.825 g/mol
SMILES N(C(CCSC=1N(N=NN1)C1=CC=C(C=C1)Cl)=O)C1=CC=C(C=C1)F