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Ethyl-N-{bis[3-Bromo-5-(trifluoromethyl)-biphenyl-4-yl]methyl}-carbamate
SpectraBase Compound ID 9wdjVNIfL0t
InChI InChI=1S/C30H21Br2F6NO2/c1-2-41-28(40)39-27(25-21(29(33,34)35)13-19(15-23(25)31)17-9-5-3-6-10-17)26-22(30(36,37)38)14-20(16-24(26)32)18-11-7-4-8-12-18/h3-16,27H,2H2,1H3,(H,39,40)
InChIKey QILACLBYKNGIKV-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 4HWBcrqv95j
Name Ethyl-N-{bis[3-Bromo-5-(trifluoromethyl)-biphenyl-4-yl]methyl}-carbamate
Alternate Name(s) [Bis-(5-bromo-3-trifluoromethyl-biphenyl-4-yl)-methyl]-carbamic acid ethyl ester
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Formula C30H21Br2F6NO2
InChI InChI=1S/C30H21Br2F6NO2/c1-2-41-28(40)39-27(25-21(29(33,34)35)13-19(15-23(25)31)17-9-5-3-6-10-17)26-22(30(36,37)38)14-20(16-24(26)32)18-11-7-4-8-12-18/h3-16,27H,2H2,1H3,(H,39,40)
InChIKey QILACLBYKNGIKV-UHFFFAOYSA-N
Molecular Weight 701.301 g/mol
SMILES N(C(c1c(C(F)(F)F)cc(cc1Br)-c1ccccc1)c1c(C(F)(F)F)cc(cc1Br)-c1ccccc1)C(=O)OCC
SPLASH splash10-00di-0000009000-abca727db24d35c0360e
Source of Spectrum C-128-966-13
Wiley ID 1701830