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1,4-Bis((4-chlorophenyl)(1-cyclohexyl-1H-tetrazol-5-yl)methyl) piperazine
SpectraBase Compound ID Hf49lAoOgBn
InChI InChI=1S/C32H40Cl2N10/c33-25-15-11-23(12-16-25)29(31-35-37-39-43(31)27-7-3-1-4-8-27)41-19-21-42(22-20-41)30(24-13-17-26(34)18-14-24)32-36-38-40-44(32)28-9-5-2-6-10-28/h11-18,27-30H,1-10,19-22H2
InChIKey NBPQZLRERNDNDZ-UHFFFAOYSA-N
Mol Weight 635.6 g/mol
Molecular Formula C32H40Cl2N10
Exact Mass 634.281447 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID JWMGsBYBVtv
Name 1,4-Bis((4-chlorophenyl)(1-cyclohexyl-1H-tetrazol-5-yl)methyl) piperazine
Appearance White solid
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C32H40Cl2N10
InChI InChI=1S/C32H40Cl2N10/c33-25-15-11-23(12-16-25)29(31-35-37-39-43(31)27-7-3-1-4-8-27)41-19-21-42(22-20-41)30(24-13-17-26(34)18-14-24)32-36-38-40-44(32)28-9-5-2-6-10-28/h11-18,27-30H,1-10,19-22H2
InChIKey NBPQZLRERNDNDZ-UHFFFAOYSA-N
Instrument Name HP 5937
Ionization Type EI
Literature Reference DOI 10.1002/jhet.2720
Molecular Weight 635.648 g/mol
SMILES c1(Cl)ccc(cc1)C(c1nnn[n]1C1CCCCC1)N1CCN(CC1)C(c1[n](C2CCCCC2)nnn1)c1ccc(Cl)cc1
SPLASH splash10-0a5c-9411000000-6664d72c0721c26191d2
Source of Spectrum Y-54-1401-3e
Wiley ID 1878206