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4'-[(3-Butyl-1H-1,2,4-triazol-1-yl)methyl]biphenyl-2-tetrazole
SpectraBase Compound ID Ak0iwayZJzA
InChI InChI=1S/C20H21N7/c1-2-3-8-19-21-14-27(24-19)13-15-9-11-16(12-10-15)17-6-4-5-7-18(17)20-22-25-26-23-20/h4-7,9-12,14H,2-3,8,13H2,1H3,(H,22,23,25,26)
InChIKey COLOZRIIPMCJDO-UHFFFAOYSA-N
Mol Weight 359.44 g/mol
Molecular Formula C20H21N7
Exact Mass 359.185844 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Azdm9QkrNA0
Name 4'-[(3-Butyl-1H-1,2,4-triazol-1-yl)methyl]biphenyl-2-tetrazole
Alternate Name(s) 5-[2-[4-[(3-butyl-1,2,4-triazol-1-yl)methyl]phenyl]phenyl]-2H-1,2,3,4-tetrazole
Comments Less than 3 mono-isotopic peaks
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C20H21N7
InChI InChI=1S/C20H21N7/c1-2-3-8-19-21-14-27(24-19)13-15-9-11-16(12-10-15)17-6-4-5-7-18(17)20-22-25-26-23-20/h4-7,9-12,14H,2-3,8,13H2,1H3,(H,22,23,25,26)
InChIKey COLOZRIIPMCJDO-UHFFFAOYSA-N
Molecular Weight 359.437 g/mol
SMILES [nH]1c(nnn1)-c1c(-c2ccc(C[n]3nc(CCCC)nc3)cc2)cccc1
SPLASH splash10-0a6r-0509000000-a0038903e8c8f6b0b56b
Source of Spectrum QA-43-88-11
Wiley ID 862151