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1,4-Bis((1-cyclohexyl-1H-tetrazol-5-yl)(4-fluorophenyl)methyl) piperazine
SpectraBase Compound ID LP9fYM0XVPi
InChI InChI=1S/C32H40F2N10/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 JVVFNCHBKVYISX-UHFFFAOYSA-N
Mol Weight 602.7 g/mol
Molecular Formula C32H40F2N10
Exact Mass 602.340548 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 6GS9s05N8D
Name 1,4-Bis((1-cyclohexyl-1H-tetrazol-5-yl)(4-fluorophenyl)methyl) piperazine
Appearance White solid
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C32H40F2N10
InChI InChI=1S/C32H40F2N10/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 JVVFNCHBKVYISX-UHFFFAOYSA-N
Instrument Name HP 5937
Ionization Type EI
Literature Reference DOI 10.1002/jhet.2720
Molecular Weight 602.739 g/mol
SMILES C1(CCCCC1)[n]1nnnc1C(c1ccc(cc1)F)N1CCN(CC1)C(c1ccc(F)cc1)c1[n](C2CCCCC2)nnn1
SPLASH splash10-0a4i-9700000000-f3c8140eff01c9668fde
Source of Spectrum Y-54-1401-3d
Wiley ID 1878205