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(R)-2-(4-chlorophenyl)-4-(5-methyl-1-phenyl-1H-1,2,3-triazol-4-yl)-4-oxobutanenitrile
SpectraBase Compound ID AH1vjyQpxNr
InChI InChI=1S/C19H15ClN4O/c1-13-19(22-23-24(13)17-5-3-2-4-6-17)18(25)11-15(12-21)14-7-9-16(20)10-8-14/h2-10,15H,11H2,1H3/t15-/m0/s1
InChIKey OKTUQPCYDYZIOS-HNNXBMFYSA-N
Mol Weight 350.81 g/mol
Molecular Formula C19H15ClN4O
Exact Mass 350.093439 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 8iRvZWAuhpb
Name (R)-2-(4-chlorophenyl)-4-(5-methyl-1-phenyl-1H-1,2,3-triazol-4-yl)-4-oxobutanenitrile
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C19H15ClN4O
InChI InChI=1S/C19H15ClN4O/c1-13-19(22-23-24(13)17-5-3-2-4-6-17)18(25)11-15(12-21)14-7-9-16(20)10-8-14/h2-10,15H,11H2,1H3/t15-/m0/s1
InChIKey OKTUQPCYDYZIOS-HNNXBMFYSA-N
Literature Reference DOI 10.1039/c4gc00386a
Molecular Weight 350.809 g/mol
SMILES [C@@](CC(c1c(C)[n](nn1)-c1ccccc1)=O)(C#N)(c1ccc(cc1)Cl)[H]
SPLASH splash10-0ugi-9801000000-4b568d66aa02ec362877
Source of Spectrum GCH-16-3454/SM8-5c
Wiley ID 1755403