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1,2-Benzenedicarbonitrile, 4-nitro-5-[4-(4-phenyl-2-thiazolyl)-1-piperazinyl]-
SpectraBase Compound ID IBNQeNPK5pe
InChI InChI=1S/C21H16N6O2S/c22-12-16-10-19(20(27(28)29)11-17(16)13-23)25-6-8-26(9-7-25)21-24-18(14-30-21)15-4-2-1-3-5-15/h1-5,10-11,14H,6-9H2
InChIKey ARBCXVYWRRWFJG-UHFFFAOYSA-N
Mol Weight 416.46 g/mol
Molecular Formula C21H16N6O2S
Exact Mass 416.105545 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID K9UDPUmiXl2
Name 1,2-Benzenedicarbonitrile, 4-nitro-5-[4-(4-phenyl-2-thiazolyl)-1-piperazinyl]-
Alternate Name(s) 4-Nitro-5-[4-(4-phenyl-2-thiazolyl)-1-piperazinyl]benzene-1,2-dicarbonitrile 4-Nitro-5-[4-(4-phenylthiazol-2-yl)piperazin-1-yl]phthalonitrile 4-Nitro-5-[4-(4-phenyl-1,3-thiazol-2-yl)piperazin-1-yl]benzene-1,2-dicarbonitrile
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C21H16N6O2S
InChI InChI=1S/C21H16N6O2S/c22-12-16-10-19(20(27(28)29)11-17(16)13-23)25-6-8-26(9-7-25)21-24-18(14-30-21)15-4-2-1-3-5-15/h1-5,10-11,14H,6-9H2
InChIKey ARBCXVYWRRWFJG-UHFFFAOYSA-N
Molecular Weight 416.459 g/mol
SMILES c1ccccc1-c1csc(n1)N1CCN(c2cc(c(C#N)cc2N(=O)=O)C#N)CC1
SPLASH splash10-0f79-3920000000-49de40dbaecf255f5282
Source of Spectrum IY-1-4463-1
Wiley ID 1652614