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acetamide, N-[4-[[1-(3,4-dichlorophenyl)-1H-tetrazol-5-yl]methoxy]phenyl]-
SpectraBase Compound ID E6PYY221D3W
InChI InChI=1S/C16H13Cl2N5O2/c1-10(24)19-11-2-5-13(6-3-11)25-9-16-20-21-22-23(16)12-4-7-14(17)15(18)8-12/h2-8H,9H2,1H3,(H,19,24)
InChIKey IKPDAECIPYUNHY-UHFFFAOYSA-N
Mol Weight 378.22 g/mol
Molecular Formula C16H13Cl2N5O2
Exact Mass 377.04463 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID BLYK2NnD03B
Name Acetamide, N-[4-[[1-(3,4-dichlorophenyl)-1H-tetrazol-5-yl]methoxy]phenyl]-
Comments Computed using HOSE algorithm
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Exact Mass 377.044630077 u
Formula C16H13Cl2N5O2
InChI InChI=1S/C16H13Cl2N5O2/c1-10(24)19-11-2-5-13(6-3-11)25-9-16-20-21-22-23(16)12-4-7-14(17)15(18)8-12/h2-8H,9H2,1H3,(H,19,24)
InChIKey IKPDAECIPYUNHY-UHFFFAOYSA-N
Molecular Weight 378.219 g/mol
SMILES N(C(=O)C)C1=CC=C(OCC=2N(N=NN2)C2=CC(Cl)=C(C=C2)Cl)C=C1