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1-(4-Cyanophenyl)-1H-1,2,3,4-tetrazole
SpectraBase Compound ID eb5WqXRerd
InChI InChI=1S/C8H5N5/c9-5-7-1-3-8(4-2-7)13-6-10-11-12-13/h1-4,6H
InChIKey ABMSFLLXFJMTKA-UHFFFAOYSA-N
Mol Weight 171.16 g/mol
Molecular Formula C8H5N5
Exact Mass 171.054495 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 9fGpaMBYhIF
Name 1-(4-Cyanophenyl)-1H-1,2,3,4-tetrazole
CAS Registry Number 110840-26-1
Comments Less than 3 mono-isotopic peaks
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C8H5N5
InChI InChI=1S/C8H5N5/c9-5-7-1-3-8(4-2-7)13-6-10-11-12-13/h1-4,6H
InChIKey ABMSFLLXFJMTKA-UHFFFAOYSA-N
Molecular Weight 171.163 g/mol
SMILES c1nnn[n]1-c1ccc(C#N)cc1
SPLASH splash10-014i-0900000000-f78a06e1596862128435
Source of Spectrum U1-2011-2832-18
Synonyms 4-(1-Tetrazolyl)benzonitrile 4-(1,2,3,4-tetrazol-1-yl)benzenecarbonitrile
Wiley ID 1665405