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1,4-Bis(4-(1-tert-butyl-1H-tetrazol-5-yl)-1-benzylpiperidin-4-yl) piperazine
SpectraBase Compound ID E3qpghu6z5v
InChI InChI=1S/C38H56N12/c1-35(2,3)49-33(39-41-43-49)37(17-21-45(22-18-37)29-31-13-9-7-10-14-31)47-25-27-48(28-26-47)38(34-40-42-44-50(34)36(4,5)6)19-23-46(24-20-38)30-32-15-11-8-12-16-32/h7-16H,17-30H2,1-6H3
InChIKey TUVRELCGFWYHEO-UHFFFAOYSA-N
Mol Weight 681.0 g/mol
Molecular Formula C38H56N12
Exact Mass 680.47509 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID HCnU5NjrPev
Name 1,4-Bis(4-(1-tert-butyl-1H-tetrazol-5-yl)-1-benzylpiperidin-4-yl) piperazine
Appearance White solid
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C38H56N12
InChI InChI=1S/C38H56N12/c1-35(2,3)49-33(39-41-43-49)37(17-21-45(22-18-37)29-31-13-9-7-10-14-31)47-25-27-48(28-26-47)38(34-40-42-44-50(34)36(4,5)6)19-23-46(24-20-38)30-32-15-11-8-12-16-32/h7-16H,17-30H2,1-6H3
InChIKey TUVRELCGFWYHEO-UHFFFAOYSA-N
Instrument Name HP 5937
Ionization Type EI
Literature Reference DOI 10.1002/jhet.2720
Molecular Weight 680.950 g/mol
SMILES C([n]1nnnc1C1(CCN(CC1)Cc1ccccc1)N1CCN(CC1)C1(CCN(Cc2ccccc2)CC1)c1[n](C(C)(C)C)nnn1)(C)(C)C
SPLASH splash10-01r6-9300000000-c00490ac3c183955c6d0
Source of Spectrum Y-54-1402-5d
Wiley ID 1878211