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5-[4-[(E)-2-(4-methylphenyl)ethenyl]phenyl]-2H-1,2,3,4-tetrazole

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5-[4-[(E)-2-(4-methylphenyl)ethenyl]phenyl]-2H-1,2,3,4-tetrazole
SpectraBase Compound ID EsdTAALS5GE
InChI InChI=1S/C16H14N4/c1-12-2-4-13(5-3-12)6-7-14-8-10-15(11-9-14)16-17-19-20-18-16/h2-11H,1H3,(H,17,18,19,20)/b7-6+
InChIKey OFPOISFUZSJSRP-VOTSOKGWSA-N
Mol Weight 262.32 g/mol
Molecular Formula C16H14N4
Exact Mass 262.121846 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID LWDH10PWRYx
Name 5-[4-[(E)-2-(4-Methylphenyl)ethenyl]phenyl]-2H-1,2,3,4-tetrazole
Comments Computed using HOSE algorithm
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Exact Mass 262.121846467 u
Formula C16H14N4
InChI InChI=1S/C16H14N4/c1-12-2-4-13(5-3-12)6-7-14-8-10-15(11-9-14)16-17-19-20-18-16/h2-11H,1H3,(H,17,18,19,20)/b7-6+
InChIKey OFPOISFUZSJSRP-VOTSOKGWSA-N
Molecular Weight 262.316 g/mol
SMILES C=1(NN=NN1)C=1C=CC(\C=C\C=2C=CC(=CC2)C)=CC1