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(R)-4-(5-methyl-1-phenyl-1H-1,2,3-triazol-4-yl)-4-oxo-2-(p-tolyl)butanenitrile
SpectraBase Compound ID Gl5EfVKRWJ5
InChI InChI=1S/C20H18N4O/c1-14-8-10-16(11-9-14)17(13-21)12-19(25)20-15(2)24(23-22-20)18-6-4-3-5-7-18/h3-11,17H,12H2,1-2H3/t17-/m0/s1
InChIKey HRTINNFNAIZAHR-KRWDZBQOSA-N
Mol Weight 330.39 g/mol
Molecular Formula C20H18N4O
Exact Mass 330.148061 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 9Dk6uiVPQqK
Name (R)-4-(5-methyl-1-phenyl-1H-1,2,3-triazol-4-yl)-4-oxo-2-(p-tolyl)butanenitrile
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C20H18N4O
InChI InChI=1S/C20H18N4O/c1-14-8-10-16(11-9-14)17(13-21)12-19(25)20-15(2)24(23-22-20)18-6-4-3-5-7-18/h3-11,17H,12H2,1-2H3/t17-/m0/s1
InChIKey HRTINNFNAIZAHR-KRWDZBQOSA-N
Literature Reference DOI 10.1039/c4gc00386a
Molecular Weight 330.391 g/mol
SMILES [C@@](CC(c1c(C)[n](nn1)-c1ccccc1)=O)(C#N)(c1ccc(cc1)C)[H]
SPLASH splash10-003r-9400000000-0207b00aadb941a1fabf
Source of Spectrum GCH-16-3454/SM8-5b
Wiley ID 1755402