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(S)-2-(3-(5-methyl-1-(p-tolyl)-1H-1,2,3-triazol-4-yl)-3-oxo-1-phenylpropyl)malononitrile
SpectraBase Compound ID FPs8Us4MRs3
InChI InChI=1S/C22H19N5O/c1-15-8-10-19(11-9-15)27-16(2)22(25-26-27)21(28)12-20(18(13-23)14-24)17-6-4-3-5-7-17/h3-11,18,20H,12H2,1-2H3/t20-/m1/s1
InChIKey RMTMJIVDYADNOG-HXUWFJFHSA-N
Mol Weight 369.43 g/mol
Molecular Formula C22H19N5O
Exact Mass 369.15896 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID KWIqd2u4KmP
Name (S)-2-(3-(5-methyl-1-(p-tolyl)-1H-1,2,3-triazol-4-yl)-3-oxo-1-phenylpropyl)malononitrile
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C22H19N5O
InChI InChI=1S/C22H19N5O/c1-15-8-10-19(11-9-15)27-16(2)22(25-26-27)21(28)12-20(18(13-23)14-24)17-6-4-3-5-7-17/h3-11,18,20H,12H2,1-2H3/t20-/m1/s1
InChIKey RMTMJIVDYADNOG-HXUWFJFHSA-N
Literature Reference DOI 10.1039/c4gc00386a
Molecular Weight 369.428 g/mol
SMILES C(C(C#N)[C@]([H])(CC(c1c(C)[n](-c2ccc(cc2)C)nn1)=O)c1ccccc1)#N
SPLASH splash10-007p-5900000000-03de7fdf9d17af6bfa03
Source of Spectrum GCH-16-3454/SM11-6d
Wiley ID 1755414