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

m 150

Formula: C16H10F3NO

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

Inchi: InChI=1S/C16H10F3NO/c1-2-11-3-5-12(6-4-11)13-7-9-14(10-8-13)15(20-21)16(17,18)19/h1,3-10,21H/b20-15-

Inchikey: BFJVHIAKXGWTJT-HKWRFOASSA-N

Mass: 289.07

Publication (about 2 years ago)

Authors:

Irina Protasova

Affiliation:

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

DOI: 10.14272/BFJVHIAKXGWTJT-HKWRFOASSA-N

Characterization

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

NMR/1H/CDCl3/250

1 H NMR (300 MHz, CDCl3, ppm), δ = 3.12 (s, 1 H), 7.55–7.68 (m, 8 H), 8.51 (s, 1 H).

DOI: 10.14272/BFJVHIAKXGWTJT-HKWRFOASSA-N/NMR/1H/CDCl3/250.1

Dk%2bnlke4m5oi79lpt4pk%3d&expires=1490286410

NMR/13C/CDCl3/75

13C NMR (75 MHz, CDCl3, ppm), δ = 78.3, 83.3, 118.8, 121.9, 125.2, 127.1 (q,1J = 234 Hz), 127.2 (2 C), 129.3 (2 C), 132.7 (2 C), 140.3 (2 C), 142.5, 147.4 (q, 2J = 32.5 Hz)

DOI: 10.14272/BFJVHIAKXGWTJT-HKWRFOASSA-N/NMR/13C/CDCl3/75.1

Nopreview

IR

IR (ATR, ν): 3287, 2919, 1715, 1604, 1491, 1448, 1399, 1336, 1251, 1207, 1176, 1139, 1035, 1010, 963, 822, 746, 725, 645, 621, 558, 537, 518, 430 cm-1

DOI: 10.14272/BFJVHIAKXGWTJT-HKWRFOASSA-N/IR.1

Nopreview

Mass/EI

EI-MS (m/z, 70 eV, 60 °C): 289 (100) [M+], 265 (27), 203 (22), 178 (12), 154 (8), 120 (4), 89 (4), 77 (29), 58 (9), 43 (48). – HRMS (C16H10F3NO): calc. 289.0714, found. 289.0711. 

DOI: 10.14272/BFJVHIAKXGWTJT-HKWRFOASSA-N/Mass/EI.1


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