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(R)-4-(1-(4-chlorophenyl)-5-methyl-1H-1,2,3-triazol-4-yl)-4-oxo-2-phenylbutanenitrile
SpectraBase Compound ID 1tnydcsAcTn
InChI InChI=1S/C19H15ClN4O/c1-13-19(22-23-24(13)17-9-7-16(20)8-10-17)18(25)11-15(12-21)14-5-3-2-4-6-14/h2-10,15H,11H2,1H3/t15-/m0/s1
InChIKey DHXHIPLUMJJBMT-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 4A1NcEeCGdh
Name (R)-4-(1-(4-chlorophenyl)-5-methyl-1H-1,2,3-triazol-4-yl)-4-oxo-2-phenylbutanenitrile
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C19H15ClN4O
InChI InChI=1S/C19H15ClN4O/c1-13-19(22-23-24(13)17-9-7-16(20)8-10-17)18(25)11-15(12-21)14-5-3-2-4-6-14/h2-10,15H,11H2,1H3/t15-/m0/s1
InChIKey DHXHIPLUMJJBMT-HNNXBMFYSA-N
Literature Reference DOI 10.1039/c4gc00386a
Molecular Weight 350.809 g/mol
SMILES [C@@](CC(c1c(C)[n](nn1)-c1ccc(cc1)Cl)=O)(C#N)(c1ccccc1)[H]
SPLASH splash10-0i00-0900000000-e96dae9d8ba7d3cd3d99
Source of Spectrum GCH-16-3454/SM9-5f
Wiley ID 1755406