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5-[bis(o-Chlorobenzyl)amino]-2H-tetrazole-2-acetic acid, ethyl ester
SpectraBase Compound ID IDxYgW0RL7t
InChI InChI=1S/C19H19Cl2N5O2/c1-2-28-18(27)13-26-23-19(22-24-26)25(11-14-7-3-5-9-16(14)20)12-15-8-4-6-10-17(15)21/h3-10H,2,11-13H2,1H3
InChIKey ZECARHJRYDYBOL-UHFFFAOYSA-N
Mol Weight 420.3 g/mol
Molecular Formula C19H19Cl2N5O2
Exact Mass 419.09158 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID BIhhIkzJvlw
Name 5-[bis(o-Chlorobenzyl)amino]-2H-tetrazole-2-acetic acid, ethyl ester
Comments Computed using HOSE algorithm
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Exact Mass 419.091580270 u
Formula C19H19Cl2N5O2
InChI InChI=1S/C19H19Cl2N5O2/c1-2-28-18(27)13-26-23-19(22-24-26)25(11-14-7-3-5-9-16(14)20)12-15-8-4-6-10-17(15)21/h3-10H,2,11-13H2,1H3
InChIKey ZECARHJRYDYBOL-UHFFFAOYSA-N
Molecular Weight 420.300 g/mol
SMILES C(C1=CC=CC=C1Cl)N(C1=NN(CC(OCC)=O)N=N1)CC1=CC=CC=C1Cl