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Ethyl 2',5'-dibromo-3',6'-difluoro-[1,1'-biphenyl]-4-carboxylate
SpectraBase Compound ID Dip6jXYoROl
InChI InChI=1S/C15H10Br2F2O2/c1-2-21-15(20)9-5-3-8(4-6-9)12-13(17)11(18)7-10(16)14(12)19/h3-7H,2H2,1H3
InChIKey IPHITSGUXMSLFG-UHFFFAOYSA-N
Mol Weight 420.05 g/mol
Molecular Formula C15H10Br2F2O2
Exact Mass 417.901562 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID BekodOE1Lxy
Name Ethyl 2',5'-dibromo-3',6'-difluoro-[1,1'-biphenyl]-4-carboxylate
Appearance Yellow solid
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Formula C15H10Br2F2O2
InChI InChI=1S/C15H10Br2F2O2/c1-2-21-15(20)9-5-3-8(4-6-9)12-13(17)11(18)7-10(16)14(12)19/h3-7H,2H2,1H3
InChIKey IPHITSGUXMSLFG-UHFFFAOYSA-N
Instrument Name FINNIGAN MAT 95Q
Ionization Type EI
Literature Reference DOI 10.1002/anie.202206176
Molecular Weight 420.048 g/mol
Reported Formula C15H10Br2F2O2
SMILES C=1(C=C(C(Br)=C(C1F)C1=CC=C(C=C1)C(=O)OCC)F)Br
SPLASH splash10-006x-0109000000-0e5e90ad0b1ddc0c7f82
Source of Spectrum ACI-61-SM24-9f (DOI: 10.1002/anie.202206176)
Wiley ID 1897750