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N-[(Z)-2-[1-(4-chlorophenyl)-1,2,3,4-tetrazol-5-yl]ethenyl]-4-methoxy-aniline
SpectraBase Compound ID 8UNuAEbpiQ
InChI InChI=1S/C16H14ClN5O/c1-23-15-8-4-13(5-9-15)18-11-10-16-19-20-21-22(16)14-6-2-12(17)3-7-14/h2-11,18H,1H3/b11-10-
InChIKey HIICUTMBQYTHRG-KHPPLWFESA-N
Mol Weight 327.78 g/mol
Molecular Formula C16H14ClN5O
Exact Mass 327.088688 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 6UmL5958UAH
Name N-[(Z)-2-[1-(4-Chlorophenyl)-1,2,3,4-tetrazol-5-yl]ethenyl]-4-methoxy-aniline
Comments Computed using HOSE algorithm
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Exact Mass 327.088687790 u
Formula C16H14ClN5O
InChI InChI=1S/C16H14ClN5O/c1-23-15-8-4-13(5-9-15)18-11-10-16-19-20-21-22(16)14-6-2-12(17)3-7-14/h2-11,18H,1H3/b11-10-
InChIKey HIICUTMBQYTHRG-KHPPLWFESA-N
Molecular Weight 327.775 g/mol
SMILES COC1=CC=C(N\C=C/C=2N(N=NN2)C=2C=CC(=CC2)Cl)C=C1