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Benzenebutanenitrile, .alpha.-[(1-chloro-1,3-dimethyl-3-phenylbutyl)azo]-.alpha.,.gamma.,.gamma.-trimethyl-, [R*,R*-(E)]-(.+-.)-
SpectraBase Compound ID 770ufTqw34W
InChI InChI=1S/C25H32ClN3/c1-22(2,20-13-9-7-10-14-20)17-24(5,19-27)28-29-25(6,26)18-23(3,4)21-15-11-8-12-16-21/h7-16H,17-18H2,1-6H3/b29-28+/t24-,25+/m1/s1
InChIKey GYDBAFNEIGAPDW-IFLITKAISA-N
Mol Weight 410.0 g/mol
Molecular Formula C25H32ClN3
Exact Mass 409.228476 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID EKc5FLqKMaz
Name Benzenebutanenitrile, .alpha.-[(1-chloro-1,3-dimethyl-3-phenylbutyl)azo]-.alpha.,.gamma.,.gamma.-trimethyl-, [R*,R*-(E)]-(.+-.)-
CAS Registry Number 108346-34-5
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C25H32ClN3
InChI InChI=1S/C25H32ClN3/c1-22(2,20-13-9-7-10-14-20)17-24(5,19-27)28-29-25(6,26)18-23(3,4)21-15-11-8-12-16-21/h7-16H,17-18H2,1-6H3/b29-28+/t24-,25+/m1/s1
InChIKey GYDBAFNEIGAPDW-IFLITKAISA-N
Molecular Weight 410.005 g/mol
SMILES [C@@](\N=N\[C@@](CC(c1ccccc1)(C)C)(Cl)C)(C#N)(CC(c1ccccc1)(C)C)C
SPLASH splash10-014i-0931000000-e38e9e8c0fe310c828b8
Source of Spectrum J-52-2917-4
Synonyms (2R)-2-{(E)-[(1R)-1-chloro-1,3-dimethyl-3-phenylbutyl]diazenyl}-2,4-dimethyl-4-phenylpentanenitrile meso-2-chloro-2'-cyano-4,4'-dimethyl-4,4'-diphenyl-2,2'-azopentane
Wiley ID 1373377