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2H-1,2,3,4-Tetrazole-2-acetamide, 5-(4-chlorophenyl)-N-[4-(cyanomethyl)phenyl]-
SpectraBase Compound ID GUheNN6VfRv
InChI InChI=1S/C17H13ClN6O/c18-14-5-3-13(4-6-14)17-21-23-24(22-17)11-16(25)20-15-7-1-12(2-8-15)9-10-19/h1-8H,9,11H2,(H,20,25)
InChIKey GFABVSBXGFWHEB-UHFFFAOYSA-N
Mol Weight 352.79 g/mol
Molecular Formula C17H13ClN6O
Exact Mass 352.083937 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID GXAaW5p10Px
Name 2H-1,2,3,4-Tetrazole-2-acetamide, 5-(4-chlorophenyl)-N-[4-(cyanomethyl)phenyl]-
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 352.083936762 u
Formula C17H13ClN6O
InChI InChI=1S/C17H13ClN6O/c18-14-5-3-13(4-6-14)17-21-23-24(22-17)11-16(25)20-15-7-1-12(2-8-15)9-10-19/h1-8H,9,11H2,(H,20,25)
InChIKey GFABVSBXGFWHEB-UHFFFAOYSA-N
Molecular Weight 352.785 g/mol
SMILES C1=C(C2=NN(CC(NC3=CC=C(C=C3)CC#N)=O)N=N2)C=CC(=C1)Cl