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propanamide, 3-[[1-(2-chlorophenyl)-1H-tetrazol-5-yl]thio]-N-phenyl-

View entire compound with spectra: 2 NMR

propanamide, 3-[[1-(2-chlorophenyl)-1H-tetrazol-5-yl]thio]-N-phenyl-
SpectraBase Compound ID FQhNQzJm0AA
InChI InChI=1S/C16H14ClN5OS/c17-13-8-4-5-9-14(13)22-16(19-20-21-22)24-11-10-15(23)18-12-6-2-1-3-7-12/h1-9H,10-11H2,(H,18,23)
InChIKey PLWCBQCIQGCPOK-UHFFFAOYSA-N
Mol Weight 359.84 g/mol
Molecular Formula C16H14ClN5OS
Exact Mass 359.060759 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 9pyuz92jy8Y
Name Propanamide, 3-[[1-(2-chlorophenyl)-1H-tetrazol-5-yl]thio]-N-phenyl-
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 359.060758964 u
Formula C16H14ClN5OS
InChI InChI=1S/C16H14ClN5OS/c17-13-8-4-5-9-14(13)22-16(19-20-21-22)24-11-10-15(23)18-12-6-2-1-3-7-12/h1-9H,10-11H2,(H,18,23)
InChIKey PLWCBQCIQGCPOK-UHFFFAOYSA-N
Molecular Weight 359.835 g/mol
SMILES N(C(CCSC=1N(N=NN1)C=1C(Cl)=CC=CC1)=O)C=1C=CC=CC1