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

m 69

Formula: C17H15FN2S2

Canonical Smiles: Fc1ccc(cc1)/N=N/C(=C1SCCCS1)c1ccccc1

Inchi: InChI=1S/C17H15FN2S2/c18-14-7-9-15(10-8-14)19-20-16(13-5-2-1-3-6-13)17-21-11-4-12-22-17/h1-3,5-10H,4,11-12H2/b20-19+

Inchikey: XFOTXBGGPQNRBZ-FMQUCBEESA-N

Mass: 330.07

Publication (over 2 years ago)

Authors:

Nicole Jung

Affiliation:

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

DOI: 10.14272/XFOTXBGGPQNRBZ-FMQUCBEESA-N.2

Characterization

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UV-VIS


x-value y-value
amount (4a) c [g/l] A
2.17 0.217 1.0892
1.095 0.1095 0.566
0.497 0.0497 0.2468
0.141 0.0141 0.0678
0.083 0.0083 0.0404

DOI: 10.14272/XFOTXBGGPQNRBZ-FMQUCBEESA-N/UV-VIS.1


Publication (over 3 years ago)

Authors:

Bettina Stanek

Affiliation:

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

DOI: 10.14272/XFOTXBGGPQNRBZ-FMQUCBEESA-N.1

Characterization

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NMR/19F/CDCl3/367

19F NMR (CDCl3, 376 MHz, H-decoupled) δ = -111.7 ppm. 

DOI: 10.14272/XFOTXBGGPQNRBZ-FMQUCBEESA-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/XFOTXBGGPQNRBZ-FMQUCBEESA-N

Characterization

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NMR/1H/CDCL3/250

1H NMR (CDCl3, 250 MHz, δ) = 7.74–7.68 (m, 2 H), 7.47–7.37 (m, 3 H), 7.22–7.18 (m, 2 H), 7.10–7.03 (m, 2 H), 3.05 (t, J = 6.8 Hz, 4 H), 2.24 (quin, J = 6.8 Hz, 2 H).

DOI: 10.14272/XFOTXBGGPQNRBZ-FMQUCBEESA-N/NMR/1H/CDCL3/250

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NMR/13C/CDCL3/62.5

13C NMR (62.5 MHz, CDCl3, δ) = 24.2, 29.2 (2 C), 115.7 (d, J = 22.7 Hz, 2 C), 124.4 (d, J = 8.6 Hz, 2 C), 128.0 (2 C), 128.1, 130.4 (2 C), 134.5, 150.1 (d, J = 3.2 Hz), 150.2 (d, J = 1.2 Hz), 153.8 (d, J = 2.0 Hz), 163.4 (d, J = 250.1 Hz).

DOI: 10.14272/XFOTXBGGPQNRBZ-FMQUCBEESA-N/NMR/13C/CDCL3/62.5

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IR

IR (ATR) = 2916, 1684, 1588, 1529, 1491, 1439, 1421, 1385, 1304, 1255, 1214, 1186, 1133, 1104, 1089, 1027, 955, 914, 842, 824, 799, 753, 694, 672, 610, 514, 477, 450 cm-1.

DOI: 10.14272/XFOTXBGGPQNRBZ-FMQUCBEESA-N/IR

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Mass/EI

EI-MS (70 eV, 110 °C) = 330 (61), 283 (72), 225 (32), 123 (36), 95 (96), 91 (100). HRMS (C17H15FN2S2): calc. 330.0661, found. 330.0657.

DOI: 10.14272/XFOTXBGGPQNRBZ-FMQUCBEESA-N/Mass/EI

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UV-VIS

UV/VIS (CHCl3): lambda max (log epsilon) = 250 (4.0), 289 (3.9), 404 (4.3) nm.

DOI: 10.14272/XFOTXBGGPQNRBZ-FMQUCBEESA-N/UV-VIS

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TLC

Rf = 0.63 (cyclohexane : ethyl acetate, 4:1)

DOI: 10.14272/XFOTXBGGPQNRBZ-FMQUCBEESA-N/TLC


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