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Bromocyclen
SpectraBase Compound ID DtRXvNIH8sJ
InChI InChI=1S/C8H5BrCl6/c9-2-3-1-6(12)4(10)5(11)7(3,13)8(6,14)15/h3H,1-2H2/t3-,6+,7-/m0/s1
InChIKey DAASOABUJRMZAD-TYMKMJBOSA-N
Mol Weight 393.8 g/mol
Molecular Formula C8H5BrCl6
Exact Mass 389.770579 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 9CHuv5lAbgb
Name Bromocyclen
Source of Sample Sigma-Aldrich Cat. #33398
CAS Registry Number 1715-40-8
Classification Pesticides: Acaricides
Copyright Database Compilation Copyright © 2023-2024 John Wiley and Sons, Inc. Copyright © 2023-2024 John Wiley and Sons, Inc., Portions Copyright Wiley-VCH GmbH, Adams Library under license from Diablo Analytical. All Rights Reserved.
Exact Mass 389.770579361 u
Formula C8H5BrCl6
InChI InChI=1S/C8H5BrCl6/c9-2-3-1-6(12)4(10)5(11)7(3,13)8(6,14)15/h3H,1-2H2/t3-,6+,7-/m0/s1
InChIKey DAASOABUJRMZAD-TYMKMJBOSA-N
Molecular Weight 393.750 g/mol
Number of Peaks 50
RI1 1829
SMILES C1[C@]([C@@]2(C(=C([C@]1(C2(Cl)Cl)Cl)Cl)Cl)Cl)(CBr)[H]
SPLASH splash10-0a4r-0296000000-5a4fc7618396e972fc8f
Sample Comments RI1: measured on SLB-5ms (Alkanes) RI2: measured on Equity-1 (Alkanes)
Source of Spectrum Prof. L. Mondello (Chromaleont s.r.l./Univ. Messina, Italy)
Synonyms Bicyclo[2.2.1]hept-2-ene, 5-(bromomethyl)-1,2,3,4,7,7-hexachloro-
Wiley ID LM_PEST_232