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N~1~-((E)-{2-[(4-chlorobenzyl)oxy]phenyl}methylidene)-1H-tetraazole-1,5-diamine
SpectraBase Compound ID 2A2Snj53nuz
InChI InChI=1S/C15H13ClN6O/c16-13-7-5-11(6-8-13)10-23-14-4-2-1-3-12(14)9-18-22-15(17)19-20-21-22/h1-9H,10H2,(H2,17,19,21)/b18-9+
InChIKey WNSRZSKBSJWNKX-GIJQJNRQSA-N
Mol Weight 328.76 g/mol
Molecular Formula C15H13ClN6O
Exact Mass 328.083937 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 8fnXwaC7p6M
Name N~1~-((E)-{2-[(4-chlorobenzyl)oxy]phenyl}methylidene)-1H-tetraazole-1,5-diamine
Comments Computed using HOSE algorithm
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Exact Mass 328.083936762 u
Formula C15H13ClN6O
InChI InChI=1S/C15H13ClN6O/c16-13-7-5-11(6-8-13)10-23-14-4-2-1-3-12(14)9-18-22-15(17)19-20-21-22/h1-9H,10H2,(H2,17,19,21)/b18-9+
InChIKey WNSRZSKBSJWNKX-GIJQJNRQSA-N
Molecular Weight 328.763 g/mol
SMILES NC=1N(N=NN1)\N=C\C=1C(OCC2=CC=C(C=C2)Cl)=CC=CC1