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(R)-2-(4-chlorophenyl)-4-(5-methyl-1-(p-tolyl)-1H-1,2,3-triazol-4-yl)-4-oxobutanenitrile
SpectraBase Compound ID 5n81dMPUX84
InChI InChI=1S/C20H17ClN4O/c1-13-3-9-18(10-4-13)25-14(2)20(23-24-25)19(26)11-16(12-22)15-5-7-17(21)8-6-15/h3-10,16H,11H2,1-2H3/t16-/m0/s1
InChIKey TZGGXRFYMJYRNS-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 FHsS6E3izco
Name (R)-2-(4-chlorophenyl)-4-(5-methyl-1-(p-tolyl)-1H-1,2,3-triazol-4-yl)-4-oxobutanenitrile
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C20H17ClN4O
InChI InChI=1S/C20H17ClN4O/c1-13-3-9-18(10-4-13)25-14(2)20(23-24-25)19(26)11-16(12-22)15-5-7-17(21)8-6-15/h3-10,16H,11H2,1-2H3/t16-/m0/s1
InChIKey TZGGXRFYMJYRNS-INIZCTEOSA-N
Literature Reference DOI 10.1039/c4gc00386a
Molecular Weight 364.836 g/mol
SMILES [C@@](CC(c1c(C)[n](nn1)-c1ccc(cc1)C)=O)(C#N)(c1ccc(cc1)Cl)[H]
SPLASH splash10-000y-5901000000-9f7ea1671d9d758c9136
Source of Spectrum GCH-16-3454/SM9-5e
Wiley ID 1755405