(E)-1-((1,3-dithian-2-ylidene)methyl)-2-(4-fluorophenyl)diazene

m 73

Formula: C11H11FN2S2

Canonical Smiles: Fc1ccc(cc1)/N=N/C=C1SCCCS1

Inchi: InChI=1S/C11H11FN2S2/c12-9-2-4-10(5-3-9)14-13-8-11-15-6-1-7-16-11/h2-5,8H,1,6-7H2/b14-13+

Inchikey: RFIIKSPZCGYTMX-BUHFOSPRSA-N

Mass: 254.03

Publication (over 3 years ago)

Authors:

Bettina Stanek

Affiliation:

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

DOI: 10.14272/RFIIKSPZCGYTMX-BUHFOSPRSA-N.1

Characterization

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NMR/19F/CDCl3/367

19F NMR (CDCl3, 376 MHz, H-decoupled) δ = -112.0 ppm. 

DOI: 10.14272/RFIIKSPZCGYTMX-BUHFOSPRSA-N/NMR/19F/CDCl3/367


Publication (over 3 years ago)

Authors:

Bettina Stanek

Affiliation:

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

DOI: 10.14272/RFIIKSPZCGYTMX-BUHFOSPRSA-N

Characterization

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NMR/1H/CDCL3/250

1H NMR (CDCl3, 300 MHz, δ) = 7.79–7.69 (m, 2 H), 7.61 (s, 1 H), 7.15–7.04 (m, 2 H), 3.09 (t, J = 6.8 Hz, 2 H), 3.05 (t, J = 6.8 Hz, 2 H), 2.29 (quin, J = 6.8 Hz, 2 H).

DOI: 10.14272/RFIIKSPZCGYTMX-BUHFOSPRSA-N/NMR/1H/CDCL3/250

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NMR/13C/CDCL3/62.5

13C NMR (62.5 MHz, CDCl3, δ) = 24.6, 28.2, 29.1, 116.2 (d, J = 22.9 Hz, 2 C), 124.5 (d, J = 8.6 Hz, 2 C), 141.9 (d, J = 1.3 Hz), 150.2 (d, J = 3.2 Hz), 153.4 (d, J = 1.9 Hz), 163.9 (d, J = 250.8 Hz).

DOI: 10.14272/RFIIKSPZCGYTMX-BUHFOSPRSA-N/NMR/13C/CDCL3/62.5

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IR

IR (ATR) = 2913, 1902, 1587, 1524, 1492, 1418, 1380, 1299, 1255, 1217, 1145, 1090, 1007, 943, 917, 878, 843, 824, 792, 745, 696, 651, 603, 533, 500, 474, 434, 422, 401 cm-1.

DOI: 10.14272/RFIIKSPZCGYTMX-BUHFOSPRSA-N/IR

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Mass/EI

EI-MS (70 eV, 160 °C) = 254 (59), 207 (100), 123 (16), 109 (16), 95 (64), 89 (19), 75 (14). HRMS (C11H11FN2S2): calc. 254.0342, found: 254.0340.

DOI: 10.14272/RFIIKSPZCGYTMX-BUHFOSPRSA-N/Mass/EI

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UV-VIS

UV/VIS (CHCl3): lambda max (log epsilon) = 231 (3.8), 281 (3.8), 371 (3.6), 510 (3.7) nm.

DOI: 10.14272/RFIIKSPZCGYTMX-BUHFOSPRSA-N/UV-VIS

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TLC

Rf = 0.64 (cyclohexane : ethyl acetate, 4:1)

DOI: 10.14272/RFIIKSPZCGYTMX-BUHFOSPRSA-N/TLC


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