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Acetamide, N-[4-[2-[(1-phenyl-1H-1,2,3,4-tetrazol-5-yl)thio]acetyl]phenyl]-
SpectraBase Compound ID 8NKme6QHKIg
InChI InChI=1S/C17H15N5O2S/c1-12(23)18-14-9-7-13(8-10-14)16(24)11-25-17-19-20-21-22(17)15-5-3-2-4-6-15/h2-10H,11H2,1H3,(H,18,23)
InChIKey AXOMOWXBUJBVAZ-UHFFFAOYSA-N
Mol Weight 353.4 g/mol
Molecular Formula C17H15N5O2S
Exact Mass 353.094646 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 8BCF6yLO1I7
Name Acetamide, N-[4-[2-[(1-phenyl-1H-1,2,3,4-tetrazol-5-yl)thio]acetyl]phenyl]-
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 353.094645915 u
Formula C17H15N5O2S
InChI InChI=1S/C17H15N5O2S/c1-12(23)18-14-9-7-13(8-10-14)16(24)11-25-17-19-20-21-22(17)15-5-3-2-4-6-15/h2-10H,11H2,1H3,(H,18,23)
InChIKey AXOMOWXBUJBVAZ-UHFFFAOYSA-N
Molecular Weight 353.400 g/mol
SMILES C1=CC=C(N2C(=NN=N2)SCC(C=2C=CC(NC(=O)C)=CC2)=O)C=C1