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2-Amino-1,3,3-tricyano-trans-4,5-di (4-trifluoromethylphenyl)-1-cyclopentene
SpectraBase Compound ID Ei6O1IXYVx3
InChI InChI=1S/C22H12F6N4/c23-21(24,25)14-5-1-12(2-6-14)17-16(9-29)19(32)20(10-30,11-31)18(17)13-3-7-15(8-4-13)22(26,27)28/h1-8,17-18H,32H2/t17-,18+/m1/s1
InChIKey ABSSYSCCDKBDBO-MSOLQXFVSA-N
Mol Weight 446.36 g/mol
Molecular Formula C22H12F6N4
Exact Mass 446.096615 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 1AalU3AAQaG
Name 2-Amino-1,3,3-tricyano-trans-4,5-di (4-trifluoromethylphenyl)-1-cyclopentene
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C22H12F6N4
InChI InChI=1S/C22H12F6N4/c23-21(24,25)14-5-1-12(2-6-14)17-16(9-29)19(32)20(10-30,11-31)18(17)13-3-7-15(8-4-13)22(26,27)28/h1-8,17-18H,32H2/t17-,18+/m1/s1
InChIKey ABSSYSCCDKBDBO-MSOLQXFVSA-N
Literature Reference DOI 10.1002/cjoc.19990170413
Molecular Weight 446.356 g/mol
SMILES NC=1C(C#N)([C@]([C@](c2ccc(cc2)C(F)(F)F)(C1C#N)[H])(c1ccc(C(F)(F)F)cc1)[H])C#N
SPLASH splash10-0002-1202900000-a20a84b5297f29dc05d3
Source of Spectrum CJC-17-402-2Ae
Synonyms (4R,5R)-2-amino-4,5-bis(4-(trifluoromethyl)phenyl)cyclopent-2-ene-1,1,3-tricarbonitrile (4R,5R)-2-azanyl-4,5-bis[4-(trifluoromethyl)phenyl]cyclopent-2-ene-1,1,3-tricarbonitrile
Wiley ID 1773452