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

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Tert-butyl 4-(benzofuran-2-yl(1-butyl-1H-tetrazol-5-yl)methyl)piperazine-1-carboxylate
SpectraBase Compound ID Li7tsSmfNSy
InChI InChI=1S/C23H32N6O3/c1-5-6-11-29-21(24-25-26-29)20(19-16-17-9-7-8-10-18(17)31-19)27-12-14-28(15-13-27)22(30)32-23(2,3)4/h7-10,16,20H,5-6,11-15H2,1-4H3
InChIKey IIJFAZQOOOBKCZ-UHFFFAOYSA-N
Mol Weight 440.5 g/mol
Molecular Formula C23H32N6O3
Exact Mass 440.253589 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 62QiNAHkLf3
Name Tert-butyl 4-(benzofuran-2-yl(1-butyl-1H-tetrazol-5-yl)methyl)piperazine-1-carboxylate
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 440.253588911 u
Formula C23H32N6O3
InChI InChI=1S/C23H32N6O3/c1-5-6-11-29-21(24-25-26-29)20(19-16-17-9-7-8-10-18(17)31-19)27-12-14-28(15-13-27)22(30)32-23(2,3)4/h7-10,16,20H,5-6,11-15H2,1-4H3
InChIKey IIJFAZQOOOBKCZ-UHFFFAOYSA-N
Molecular Weight 440.548 g/mol
SMILES C1N(CCN(C1)C(OC(C)(C)C)=O)C(C=1N(N=NN1)CCCC)C=1OC2=CC=CC=C2C1