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Ethyl 4-(benzofuran-2-yl(1-butyl-1H-tetrazol-5-yl)methyl)piperazine-1-carboxylate

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Ethyl 4-(benzofuran-2-yl(1-butyl-1H-tetrazol-5-yl)methyl)piperazine-1-carboxylate
SpectraBase Compound ID DGEScmNGsEk
InChI InChI=1S/C21H28N6O3/c1-3-5-10-27-20(22-23-24-27)19(18-15-16-8-6-7-9-17(16)30-18)25-11-13-26(14-12-25)21(28)29-4-2/h6-9,15,19H,3-5,10-14H2,1-2H3
InChIKey JONRWOXFDWZHIA-UHFFFAOYSA-N
Mol Weight 412.49 g/mol
Molecular Formula C21H28N6O3
Exact Mass 412.222289 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 5m2y7VvfCaA
Name Ethyl 4-(benzofuran-2-yl(1-butyl-1H-tetrazol-5-yl)methyl)piperazine-1-carboxylate
Comments Computed using HOSE algorithm
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Exact Mass 412.222288783 u
Formula C21H28N6O3
InChI InChI=1S/C21H28N6O3/c1-3-5-10-27-20(22-23-24-27)19(18-15-16-8-6-7-9-17(16)30-18)25-11-13-26(14-12-25)21(28)29-4-2/h6-9,15,19H,3-5,10-14H2,1-2H3
InChIKey JONRWOXFDWZHIA-UHFFFAOYSA-N
Molecular Weight 412.494 g/mol
SMILES C1N(CCN(C1)C(OCC)=O)C(C=1N(N=NN1)CCCC)C=1OC2=CC=CC=C2C1