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1,4-Bis((1-(2,4,4-trimethylpentan-2-yl)-1H-tetrazol-5-yl)(p-tolyl) methyl)piperazine
SpectraBase Compound ID LCQ2l5sclDs
InChI InChI=1S/C38H58N10/c1-27-13-17-29(18-14-27)31(33-39-41-43-47(33)37(9,10)25-35(3,4)5)45-21-23-46(24-22-45)32(30-19-15-28(2)16-20-30)34-40-42-44-48(34)38(11,12)26-36(6,7)8/h13-20,31-32H,21-26H2,1-12H3
InChIKey NTXDVRGDPKTTGU-UHFFFAOYSA-N
Mol Weight 655.0 g/mol
Molecular Formula C38H58N10
Exact Mass 654.484592 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID G2KfiQB7oK3
Name 1,4-Bis((1-(2,4,4-trimethylpentan-2-yl)-1H-tetrazol-5-yl)(p-tolyl) methyl)piperazine
Appearance White solid
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C38H58N10
InChI InChI=1S/C38H58N10/c1-27-13-17-29(18-14-27)31(33-39-41-43-47(33)37(9,10)25-35(3,4)5)45-21-23-46(24-22-45)32(30-19-15-28(2)16-20-30)34-40-42-44-48(34)38(11,12)26-36(6,7)8/h13-20,31-32H,21-26H2,1-12H3
InChIKey NTXDVRGDPKTTGU-UHFFFAOYSA-N
Instrument Name HP 5937
Ionization Type EI
Literature Reference DOI 10.1002/jhet.2720
Molecular Weight 654.952 g/mol
SMILES CC(CC(C)(C)[n]1nnnc1C(c1ccc(cc1)C)N1CCN(CC1)C(c1ccc(C)cc1)c1[n](C(C)(CC(C)(C)C)C)nnn1)(C)C
SPLASH splash10-0ap1-6931000000-c3e5133077fe252542b4
Source of Spectrum Y-54-1401-3g
Wiley ID 1878207