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Pentanenitrile, 2-[(1-chloro-1,3-dimethylbutyl)azo]-2,4-dimethyl-, [R*,R*-(E)]-(.+-.)-
SpectraBase Compound ID CowDNw9WyHs
InChI InChI=1S/C13H24ClN3/c1-10(2)7-12(5,9-15)16-17-13(6,14)8-11(3)4/h10-11H,7-8H2,1-6H3/b17-16+/t12-,13+/m1/s1
InChIKey MRARJGNWCZMNIO-MSPKJWORSA-N
Mol Weight 257.81 g/mol
Molecular Formula C13H24ClN3
Exact Mass 257.165875 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 1IkNQ5rtaOr
Name Pentanenitrile, 2-[(1-chloro-1,3-dimethylbutyl)azo]-2,4-dimethyl-, [R*,R*-(E)]-(.+-.)-
CAS Registry Number 108346-31-2
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H24ClN3
InChI InChI=1S/C13H24ClN3/c1-10(2)7-12(5,9-15)16-17-13(6,14)8-11(3)4/h10-11H,7-8H2,1-6H3/b17-16+/t12-,13+/m1/s1
InChIKey MRARJGNWCZMNIO-MSPKJWORSA-N
Molecular Weight 257.809 g/mol
SMILES [C@@](\N=N\[C@@](CC(C)C)(Cl)C)(C#N)(CC(C)C)C
SPLASH splash10-00lu-9100000000-792cb9b397950b1e7590
Source of Spectrum J-52-2916-4
Synonyms dl-2-chloro-2'-cyano-4,4'-dimethyl-2,2'-azopentane (2R)-2-{(E)-[(1R)-1-chloro-1,3-dimethylbutyl]diazenyl}-2,4-dimethylpentanenitrile meso-2-chloro-2'-cyano-4,4'-dimethyl-2,2'-azopentane
Wiley ID 1260725