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1,4-Bis(4-(1-tert-butyl-1H-tetrazol-5-yl)-1-((piperidin-1-yl)ethanone)-4-yl)piperazine
SpectraBase Compound ID 24iWF9rhiqD
InChI InChI=1S/C28H48N12O2/c1-21(41)35-13-9-27(10-14-35,23-29-31-33-39(23)25(3,4)5)37-17-19-38(20-18-37)28(11-15-36(16-12-28)22(2)42)24-30-32-34-40(24)26(6,7)8/h9-20H2,1-8H3
InChIKey RAAAMCDESBIBQN-UHFFFAOYSA-N
Mol Weight 584.8 g/mol
Molecular Formula C28H48N12O2
Exact Mass 584.402319 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 7t33QtVm9d1
Name 1,4-Bis(4-(1-tert-butyl-1H-tetrazol-5-yl)-1-((piperidin-1-yl)ethanone)-4-yl)piperazine
Appearance White solid
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C28H48N12O2
InChI InChI=1S/C28H48N12O2/c1-21(41)35-13-9-27(10-14-35,23-29-31-33-39(23)25(3,4)5)37-17-19-38(20-18-37)28(11-15-36(16-12-28)22(2)42)24-30-32-34-40(24)26(6,7)8/h9-20H2,1-8H3
InChIKey RAAAMCDESBIBQN-UHFFFAOYSA-N
Instrument Name HP 5937
Ionization Type EI
Literature Reference DOI 10.1002/jhet.2720
Molecular Weight 584.774 g/mol
SMILES C1N(C(C)=O)CCC(c2nnn[n]2C(C)(C)C)(N2CCN(C3(c4nnn[n]4C(C)(C)C)CCN(C(C)=O)CC3)CC2)C1
SPLASH splash10-052f-9740000000-25e12feaded6bec48954
Source of Spectrum Y-54-1402-5e
Wiley ID 1878212