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Ethyl N-{(3',5'-Dibromobiphenyl-4'-yl)-[3,5-bis(trifluoromethyl)biphenyl-4-yl]methyl}-carbamate
SpectraBase Compound ID 3h939dAxqYU
InChI InChI=1S/C30H21Br2F6NO2/c1-2-41-28(40)39-27(26-23(31)15-20(16-24(26)32)18-11-7-4-8-12-18)25-21(29(33,34)35)13-19(14-22(25)30(36,37)38)17-9-5-3-6-10-17/h3-16,27H,2H2,1H3,(H,39,40)
InChIKey APXXPAQTEHAJDJ-UHFFFAOYSA-N
Mol Weight 701.3 g/mol
Molecular Formula C30H21Br2F6NO2
Exact Mass 698.984324 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID KEPiSyNLbOW
Name Ethyl N-{(3',5'-Dibromobiphenyl-4'-yl)-[3,5-bis(trifluoromethyl)biphenyl-4-yl]methyl}-carbamate
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Formula C30H21Br2F6NO2
InChI InChI=1S/C30H21Br2F6NO2/c1-2-41-28(40)39-27(26-23(31)15-20(16-24(26)32)18-11-7-4-8-12-18)25-21(29(33,34)35)13-19(14-22(25)30(36,37)38)17-9-5-3-6-10-17/h3-16,27H,2H2,1H3,(H,39,40)
InChIKey APXXPAQTEHAJDJ-UHFFFAOYSA-N
Molecular Weight 701.301 g/mol
SMILES N(C(c1c(cc(cc1Br)-c1ccccc1)Br)c1c(C(F)(F)F)cc(cc1C(F)(F)F)-c1ccccc1)C(=O)OCC
SPLASH splash10-004i-0000096100-bf2e436a020c34fa8395
Source of Spectrum C-128-965-8
Wiley ID 1701835