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3H-pyrazol-3-one, 4,4'-[(2,3,5,6-tetramethyl-1,4-phenylene)dinitrilo]bis[2,4-dihydro-5-methyl-2-phenyl-
SpectraBase Compound ID F24ejo4IHwD
InChI InChI=1S/C30H28N6O2/c1-17-18(2)26(32-28-22(6)34-36(30(28)38)24-15-11-8-12-16-24)20(4)19(3)25(17)31-27-21(5)33-35(29(27)37)23-13-9-7-10-14-23/h7-16H,1-6H3/b31-27-,32-28+
InChIKey MIKPYVREOAETML-GYNJYFOTSA-N
Mol Weight 504.59 g/mol
Molecular Formula C30H28N6O2
Exact Mass 504.227374 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 3lUSJoCBd2
Name 3H-pyrazol-3-one, 4,4'-[(2,3,5,6-tetramethyl-1,4-phenylene)dinitrilo]bis[2,4-dihydro-5-methyl-2-phenyl-
Alternate Name(s) (4Z,4'E)-4,4'-((2,3,5,6-tetramethyl-1,4-phenylene)bis(azanylylidene))bis(3-methyl-1-phenyl-1H-pyrazol-5(4H)-one)
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C30H28N6O2
InChI InChI=1S/C30H28N6O2/c1-17-18(2)26(32-28-22(6)34-36(30(28)38)24-15-11-8-12-16-24)20(4)19(3)25(17)31-27-21(5)33-35(29(27)37)23-13-9-7-10-14-23/h7-16H,1-6H3/b31-27-,32-28+
InChIKey MIKPYVREOAETML-GYNJYFOTSA-N
Molecular Weight 504.594 g/mol
SMILES CC1=NN(C(=O)\C1=N\c1c(C)c(C)c(\N=C/2C(=NN(C2=O)c2ccccc2)C)c(C)c1C)c1ccccc1
SPLASH splash10-0k96-7323190000-408aacacacc0c66ae6cc
Source of Spectrum JX-2015-4-967
Wiley ID 1726374