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1,1'-((3R,4R)-3,4-Dimethylhexa-1,5-diene-2,5-diyl)bis(7,7-dibromobicyclo[4.1.0]heptane)
SpectraBase Compound ID 7pPmwGBW6FS
InChI InChI=1S/C22H30Br4/c1-15(19(13-21(19,23)24)17-9-5-3-6-10-17)16(2)20(14-22(20,25)26)18-11-7-4-8-12-18/h9,11,15-16H,3-8,10,12-14H2,1-2H3/t15-,16-,19?,20?/m1/s1
InChIKey WSCSGIHKRVRLCG-JZFKGDSASA-N
Mol Weight 614.1 g/mol
Molecular Formula C22H30Br4
Exact Mass 609.908103 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 9A6cT43O0Q9
Name 1,1'-((3R,4R)-3,4-Dimethylhexa-1,5-diene-2,5-diyl)bis(7,7-dibromobicyclo[4.1.0]heptane)
Appearance Yellow rubbery oil
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C22H30Br4
InChI InChI=1S/C22H30Br4/c1-15(19(13-21(19,23)24)17-9-5-3-6-10-17)16(2)20(14-22(20,25)26)18-11-7-4-8-12-18/h9,11,15-16H,3-8,10,12-14H2,1-2H3/t15-,16-,19?,20?/m1/s1
InChIKey WSCSGIHKRVRLCG-JZFKGDSASA-N
Instrument Name Thermo Finnigan TSQ 700
Ionization Type EI
Literature Reference DOI 10.1002/chem.201804497
Molecular Weight 614.098 g/mol
Quality 236
Reported Formula C22H34NBr2(81)Br2
SMILES [C@]([C@](C1(C2=CCCCC2)C(C1)(Br)Br)(C)[H])(C1(C=2CCCCC2)CC1(Br)Br)(C)[H]
SPLASH splash10-054k-2932000000-1709701af14160edd6e5
Source of Spectrum QE-24-SM19-24 (DOI: 10.1002/chem.201804497)
Thin-Layer Chromatography 0.26 (n-pentane)
Wiley ID 1901794