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(R)-2-(4-chlorophenyl)-4-(1-(2-chlorophenyl)-5-methyl-1H-1,2,3-triazol-4-yl)-4-oxobutanenitrile

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(R)-2-(4-chlorophenyl)-4-(1-(2-chlorophenyl)-5-methyl-1H-1,2,3-triazol-4-yl)-4-oxobutanenitrile
SpectraBase Compound ID 9lJLdMQwNSh
InChI InChI=1S/C19H14Cl2N4O/c1-12-19(23-24-25(12)17-5-3-2-4-16(17)21)18(26)10-14(11-22)13-6-8-15(20)9-7-13/h2-9,14H,10H2,1H3/t14-/m0/s1
InChIKey GLAQDHDDLWKVKQ-AWEZNQCLSA-N
Mol Weight 385.25 g/mol
Molecular Formula C19H14Cl2N4O
Exact Mass 384.054466 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 4c7h6p0MsvI
Name (R)-2-(4-Chlorophenyl)-4-(1-(2-chlorophenyl)-5-methyl-1H-1,2,3-triazol-4-yl)-4-oxobutanenitrile
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 384.054466486 u
Formula C19H14Cl2N4O
InChI InChI=1S/C19H14Cl2N4O/c1-12-19(23-24-25(12)17-5-3-2-4-16(17)21)18(26)10-14(11-22)13-6-8-15(20)9-7-13/h2-9,14H,10H2,1H3/t14-/m0/s1
InChIKey GLAQDHDDLWKVKQ-AWEZNQCLSA-N
Molecular Weight 385.254 g/mol
SMILES [C@@](CC(C1=C(C)N(N=N1)C1=C(C=CC=C1)Cl)=O)(C#N)(C1=CC=C(C=C1)Cl)[H]