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acetamide, N-(3-chlorophenyl)-2-[[1-(2-propenyl)-1H-tetrazol-5-yl]thio]-
SpectraBase Compound ID 8VPLunYOrz5
InChI InChI=1S/C12H12ClN5OS/c1-2-6-18-12(15-16-17-18)20-8-11(19)14-10-5-3-4-9(13)7-10/h2-5,7H,1,6,8H2,(H,14,19)
InChIKey MZDYHHKLHLKNTG-UHFFFAOYSA-N
Mol Weight 309.78 g/mol
Molecular Formula C12H12ClN5OS
Exact Mass 309.045109 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 8Rm3vs01GPA
Name Acetamide, N-(3-chlorophenyl)-2-[[1-(2-propenyl)-1H-tetrazol-5-yl]thio]-
Comments Computed using HOSE algorithm
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Exact Mass 309.045108899 u
Formula C12H12ClN5OS
InChI InChI=1S/C12H12ClN5OS/c1-2-6-18-12(15-16-17-18)20-8-11(19)14-10-5-3-4-9(13)7-10/h2-5,7H,1,6,8H2,(H,14,19)
InChIKey MZDYHHKLHLKNTG-UHFFFAOYSA-N
Molecular Weight 309.775 g/mol
SMILES N(C(CSC=1N(N=NN1)CC=C)=O)C1=CC(Cl)=CC=C1