(E)-1-(4'-bromo-[1,1'-biphenyl]-4-yl)-2,2,2-trifluoroethanone oxime

m 159

Formula: C14H9BrF3NO

Canonical Smiles: O/N=C(\C(F)(F)F)/c1ccc(cc1)c1ccc(cc1)Br

Inchi: InChI=1S/C14H9BrF3NO/c15-12-7-5-10(6-8-12)9-1-3-11(4-2-9)13(19-20)14(16,17)18/h1-8,20H/b19-13-

Inchikey: WJOFPNPMZUSWOJ-UYRXBGFRSA-N

Mass: 342.98

Publication (about 2 years ago)

Authors:

Irina Protasova

Affiliation:

Karlsruhe Institute of Technology, Institute of Organic Chemistry (Stefan Bräse Group)

DOI: 10.14272/WJOFPNPMZUSWOJ-UYRXBGFRSA-N

Characterization

Thumb 1  4  bromo  1 1  biphenyl  4 yl  2 2 2 trifluoroethanone oxime

NMR/1H/CDCl3/250

1 H NMR (250 MHz, CDCl3, ppm), δ = 7.43–7.53 (m, 2 H), 7.55–7.69 (m, 6 H), 9.07 (s, 1 H).

DOI: 10.14272/WJOFPNPMZUSWOJ-UYRXBGFRSA-N/NMR/1H/CDCl3/250.1

Thumb 1  4  bromo  1 1  biphenyl  4 yl  2 2 2 trifluoroethanone oxime

NMR/13C/CDCl3/62.5

13C NMR (63 MHz, CDCl3, ppm), δ = 118.4 (q, 1= 275.3 Hz), 122.5, 125.0, 127.0 (2 C), 128.8 (2 C), 129.3 (2 C), 132.1 (2 C), 138.8, 142.3, 147.4 (q, 3= 32.3 Hz). 

DOI: 10.14272/WJOFPNPMZUSWOJ-UYRXBGFRSA-N/NMR/13C/CDCl3/62.5.1

Nopreview

IR

IR (ATR, ν): 3256, 1906, 1719, 1607, 1587, 1482, 1445, 1411, 1390, 1341, 1319, 1189, 1139, 1080, 1037, 1009, 966, 949, 853, 814, 775, 742, 708, 672, 626, 610, 553, 519, 492 cm-1.

DOI: 10.14272/WJOFPNPMZUSWOJ-UYRXBGFRSA-N/IR.1

Nopreview

Mass/EI

EI-MS (m/z, 70 eV, 30 °C): 343/345 (1/1), 222 (12), 176 (13), 149 (100), 132 (2), 121 (4), 105 (6), 93 (4), 77 (2), 58 (3). – HRMS (C14H9F3NOBr): calc. 342.9820, found. 342.9816

DOI: 10.14272/WJOFPNPMZUSWOJ-UYRXBGFRSA-N/Mass/EI.1


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