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4-((4-phenyl-1H-1,2,3-triazol-1-yl)methyl)benzonitrile
SpectraBase Compound ID AV27h84No2S
InChI InChI=1S/C16H12N4/c17-10-13-6-8-14(9-7-13)11-20-12-16(18-19-20)15-4-2-1-3-5-15/h1-9,12H,11H2
InChIKey QPJFMKBPXPPYFU-UHFFFAOYSA-N
Mol Weight 260.3 g/mol
Molecular Formula C16H12N4
Exact Mass 260.106196 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID AsrMKK1uGfI
Name 4-((4-phenyl-1H-1,2,3-triazol-1-yl)methyl)benzonitrile
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C16H12N4
InChI InChI=1S/C16H12N4/c17-10-13-6-8-14(9-7-13)11-20-12-16(18-19-20)15-4-2-1-3-5-15/h1-9,12H,11H2
InChIKey QPJFMKBPXPPYFU-UHFFFAOYSA-N
Instrument Name Shimadzu TQ8050 NX
Ionization Type EI
Literature Reference DOI 10.1002/asia.202101007
Molecular Weight 260.300 g/mol
SMILES c1(ccccc1)-c1nn[n](c1)Cc1ccc(cc1)C#N
SPLASH splash10-02t9-6960000000-d8aa1f80f7a7355062a6
Source of Spectrum CAJ-16-SM39-1c
Wiley ID 1867004