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N-[2-cyano-2-(1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-ylazo)-1-piperidin-1-yl-vinyl]-formimidicacid ethyl ester
SpectraBase Compound ID LdKcGrlLuMe
InChI InChI=1S/C22H27N7O2/c1-4-31-16-24-21(28-13-9-6-10-14-28)19(15-23)25-26-20-17(2)27(3)29(22(20)30)18-11-7-5-8-12-18/h5,7-8,11-12,16H,4,6,9-10,13-14H2,1-3H3/b21-19-,24-16+,26-25+
InChIKey XYUNJULBFZBXCN-URHMZMJUSA-N
Mol Weight 421.51 g/mol
Molecular Formula C22H27N7O2
Exact Mass 421.222623 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 3z6VVqmI71W
Name N-[2-cyano-2-(1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-ylazo)-1-piperidin-1-yl-vinyl]-formimidicacid ethyl ester
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C22H27N7O2
InChI InChI=1S/C22H27N7O2/c1-4-31-16-24-21(28-13-9-6-10-14-28)19(15-23)25-26-20-17(2)27(3)29(22(20)30)18-11-7-5-8-12-18/h5,7-8,11-12,16H,4,6,9-10,13-14H2,1-3H3/b21-19-,24-16+,26-25+
InChIKey XYUNJULBFZBXCN-URHMZMJUSA-N
Molecular Weight 421.505 g/mol
SMILES C(O\C=N\C(=C/(\N=N\C=1C(N(N(C1C)C)c1ccccc1)=O)C#N)N1CCCCC1)C
SPLASH splash10-000i-2920000000-0db0b09cbabd90016356
Source of Spectrum Y-49-779-18
Wiley ID 1716744