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(R)-4-(1-(2-chlorophenyl)-5-methyl-1H-1,2,3-triazol-4-yl)-4-oxo-2-(p-tolyl)butanenitrile
SpectraBase Compound ID DOtZ55wx0oT
InChI InChI=1S/C20H17ClN4O/c1-13-7-9-15(10-8-13)16(12-22)11-19(26)20-14(2)25(24-23-20)18-6-4-3-5-17(18)21/h3-10,16H,11H2,1-2H3/t16-/m0/s1
InChIKey CTDJHNQKVZZKJZ-INIZCTEOSA-N
Mol Weight 364.84 g/mol
Molecular Formula C20H17ClN4O
Exact Mass 364.109089 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID JMTNuARK6T4
Name (R)-4-(1-(2-chlorophenyl)-5-methyl-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 C20H17ClN4O
InChI InChI=1S/C20H17ClN4O/c1-13-7-9-15(10-8-13)16(12-22)11-19(26)20-14(2)25(24-23-20)18-6-4-3-5-17(18)21/h3-10,16H,11H2,1-2H3/t16-/m0/s1
InChIKey CTDJHNQKVZZKJZ-INIZCTEOSA-N
Literature Reference DOI 10.1039/c4gc00386a
Molecular Weight 364.836 g/mol
SMILES [C@@](CC(c1c(C)[n](nn1)-c1c(cccc1)Cl)=O)(C#N)(c1ccc(cc1)C)[H]
SPLASH splash10-0il0-0900000000-a7c2fd06e696406cc449
Source of Spectrum GCH-16-3454/SM9-5g
Wiley ID 1755407