(E)-1-((1,3-dithian-2-yl)(phenyl)methylene)-2-(4-phenoxyphenyl)hydrazine

m 97

Formula: C23H22N2OS2

Canonical Smiles: c1ccc(cc1)Oc1ccc(cc1)N/N=C(\c1ccccc1)/C1SCCCS1

Inchi: InChI=1S/C23H22N2OS2/c1-3-8-18(9-4-1)22(23-27-16-7-17-28-23)25-24-19-12-14-21(15-13-19)26-20-10-5-2-6-11-20/h1-6,8-15,23-24H,7,16-17H2/b25-22+

Inchikey: PBTUVUQCTONFGS-YYDJUVGSSA-N

Mass: 406.12

Publication (over 3 years ago)

Authors:

Bettina Stanek

Affiliation:

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

DOI: 10.14272/PBTUVUQCTONFGS-YYDJUVGSSA-N

Characterization

Sgmcq6p0%3d&expires=1493159247

NMR/1H/CDCl3/400

1H NMR (CDCl3, 400 MHz), δ = 9.28 (s, 1 H, NH), 7.75-7.67 (m, 2 H, HAr), 7.43-7.34 (m, 2 H, HAr), 7.34-7.25 (m, 3 H, HAr), 7.23-7.16 (m, 2 H, HAr), 7.06-6.99 (m, 3 H, HAr), 6.98-6.90 (m, 2 H, HAr), 5.67 (s, 1 H, CH), 3.14-3.02 (m, 2 H, SCH2), 3.00-2.92 (m, 2 H, SCH2), 2.28-2.21 (m, 1 H, CH2), 2.09-1.94 (m, 1 H, CH2) ppm. 

DOI: 10.14272/PBTUVUQCTONFGS-YYDJUVGSSA-N/NMR/1H/CDCl3/400

Thumb preview

NMR/13C/CDCl3/100

13C NMR (CDCl3, 100 MHz) δ = 158.9 (CArO), 150.2 (CArO), 140.9 (CN), 138.1 (CArN), 136.3 (CAr), 129.7 (2 CAr), 128.5 (2 CAr), 128.1 (CAr), 126.1 (2 CAr), 122.3 (CAr), 121.2 (2 CAr), 117.5 (2 CAr), 114.4 (2 CAr), 46.0 (SCS), 31.7 (2 SCH2), 25.4 (CH2) ppm.

DOI: 10.14272/PBTUVUQCTONFGS-YYDJUVGSSA-N/NMR/13C/CDCl3/100

U5tdjlep%2baisq%3d&expires=1493159247

IR

IR (ATR) ν = 3283, 3034, 2897, 1608, 1585, 1556, 1505, 1485, 1442, 1420, 1327, 1264, 1219, 1162, 1098, 1073, 1022, 900, 870, 837, 806, 782, 749, 690, 657, 588, 506 cm-1

DOI: 10.14272/PBTUVUQCTONFGS-YYDJUVGSSA-N/IR

Cfk3elvm1rhca%3d&expires=1493159247

Mass/EI

EI MS (70 eV, 200 °C) m/z (%) = 406 [M+] (100), 331 (86), 184.1 (53), 141 (58), 129 (31), 119 (37), 77 (22). 

DOI: 10.14272/PBTUVUQCTONFGS-YYDJUVGSSA-N/Mass/EI

Thumb preview

TLC

Rf = 0.48 (cyclohexane : ethyl acetate, 4:1)

DOI: 10.14272/PBTUVUQCTONFGS-YYDJUVGSSA-N/TLC


Back