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1,4-Bis(1-benzyl-4-(1-cyclohexyl-1H-tetrazol-5-yl)piperidin-4-yl) piperazine
SpectraBase Compound ID KHvgC3d7CCF
InChI InChI=1S/C42H60N12/c1-5-13-35(14-6-1)33-49-25-21-41(22-26-49,39-43-45-47-53(39)37-17-9-3-10-18-37)51-29-31-52(32-30-51)42(40-44-46-48-54(40)38-19-11-4-12-20-38)23-27-50(28-24-42)34-36-15-7-2-8-16-36/h1-2,5-8,13-16,37-38H,3-4,9-12,17-34H2
InChIKey DXKYZLUVQGRMCZ-UHFFFAOYSA-N
Mol Weight 733.0 g/mol
Molecular Formula C42H60N12
Exact Mass 732.50639 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID AOqsDwntydx
Name 1,4-Bis(1-benzyl-4-(1-cyclohexyl-1H-tetrazol-5-yl)piperidin-4-yl) piperazine
Appearance White solid
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C42H60N12
InChI InChI=1S/C42H60N12/c1-5-13-35(14-6-1)33-49-25-21-41(22-26-49,39-43-45-47-53(39)37-17-9-3-10-18-37)51-29-31-52(32-30-51)42(40-44-46-48-54(40)38-19-11-4-12-20-38)23-27-50(28-24-42)34-36-15-7-2-8-16-36/h1-2,5-8,13-16,37-38H,3-4,9-12,17-34H2
InChIKey DXKYZLUVQGRMCZ-UHFFFAOYSA-N
Instrument Name HP 5937
Ionization Type EI
Literature Reference DOI 10.1002/jhet.2720
Molecular Weight 733.026 g/mol
SMILES c1(ccccc1)CN1CCC(CC1)(c1nnn[n]1C1CCCCC1)N1CCN(CC1)C1(CCN(Cc2ccccc2)CC1)c1[n](C2CCCCC2)nnn1
SPLASH splash10-01p9-1914500000-af19b9a4abb468c2bd47
Source of Spectrum Y-54-1402-5c
Wiley ID 1878210