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(R)-2-(4-chlorophenyl)-4-(1-(4-ethoxyphenyl)-5-methyl-1H-1,2,3-triazol-4-yl)-4-oxobutanenitrile
SpectraBase Compound ID F9P8uuBgeiP
InChI InChI=1S/C21H19ClN4O2/c1-3-28-19-10-8-18(9-11-19)26-14(2)21(24-25-26)20(27)12-16(13-23)15-4-6-17(22)7-5-15/h4-11,16H,3,12H2,1-2H3/t16-/m0/s1
InChIKey LXTFNAZFFRDGTN-INIZCTEOSA-N
Mol Weight 394.86 g/mol
Molecular Formula C21H19ClN4O2
Exact Mass 394.119654 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 8ccVYD4DEp6
Name (R)-2-(4-chlorophenyl)-4-(1-(4-ethoxyphenyl)-5-methyl-1H-1,2,3-triazol-4-yl)-4-oxobutanenitrile
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C21H19ClN4O2
InChI InChI=1S/C21H19ClN4O2/c1-3-28-19-10-8-18(9-11-19)26-14(2)21(24-25-26)20(27)12-16(13-23)15-4-6-17(22)7-5-15/h4-11,16H,3,12H2,1-2H3/t16-/m0/s1
InChIKey LXTFNAZFFRDGTN-INIZCTEOSA-N
Literature Reference DOI 10.1039/c4gc00386a
Molecular Weight 394.862 g/mol
SMILES [C@@](CC(c1c([n](nn1)-c1ccc(cc1)OCC)C)=O)(C#N)(c1ccc(cc1)Cl)[H]
SPLASH splash10-0fvj-3921000000-c17f1ce88a74724f5c96
Source of Spectrum GCH-16-3454/SM9-5i
Wiley ID 1755409