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2-[2-(2-Chloro-2-(4-bromophenyl))ethenyl]-1-methylazepanium perchlorate
SpectraBase Compound ID AivmlMUPMGg
InChI InChI=1S/C15H18BrClN.ClHO4/c1-18-10-4-2-3-5-14(18)11-15(17)12-6-8-13(16)9-7-12;2-1(3,4)5/h6-9,11H,2-5,10H2,1H3;(H,2,3,4,5)/q+1;/p-1/b15-11-;
InChIKey IRSMVWSNFUXDAS-PNCOJPCNSA-M
Mol Weight 427.12 g/mol
Molecular Formula C15H18BrCl2NO4
Exact Mass 424.979626 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID zPjZQl6nkJ
Name 2-[2-(2-Chloro-2-(4-bromophenyl))ethenyl]-1-methylazepanium perchlorate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C15H18BrCl2NO4
InChI InChI=1S/C15H18BrClN.ClHO4/c1-18-10-4-2-3-5-14(18)11-15(17)12-6-8-13(16)9-7-12;2-1(3,4)5/h6-9,11H,2-5,10H2,1H3;(H,2,3,4,5)/q+1;/p-1/b15-11-;
InChIKey IRSMVWSNFUXDAS-PNCOJPCNSA-M
Molecular Weight 427.122 g/mol
SMILES C1(=[N+](CCCCC1)C)\C=C\(c1ccc(cc1)Br)Cl.[Cl]([O-])(=O)(=O)=O
SPLASH splash10-000i-9000000000-87716092aaf04af70925
Source of Spectrum SO-0-1154-6
Wiley ID 1542747