P-XYLYLENEBIS(N,N-DIETHYLDITHIOCARBAMATE)(89964-93-2) IR1
Product NameP-XYLYLENEBIS(N,N-DIETHYLDITHIOCARBAMATE)
CAS89964-93-2
Molecular FormulaC18H28N2S4
Molecular Weight400.69
InChIInChI=1S/C18H28N2S4/c1-5-19(6-2)17(21)23-13-15-9-11-16(12-10-15)14-24-18(22)20(7-3)8-4/h9-12H,5-8,13-14H2,1-4H3
InChIKey CKESHWQHGBKZBB-UHFFFAOYSA-N
SmilesC1(CSC(=S)N(CC)CC)=CC=C(CSC(=S)N(CC)CC)C=C1
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MassMS-IW-7349 p-phenylenedimethylene bis(diethyldithiocarbamate) C18H28N2S4 (Mass of molecular ion: 400)
Source Temperature: 180 °C Sample Temperature: 180 °C Direct, 75 eV
27.0 2.9 28.0 4.2 29.0 6.4 30.0 2.7 42.0 1.9 44.0 16.3 45.0 1.0 51.0 2.2 52.0 1.2 56.0 3.6 58.0 3.5 59.0 2.1 60.0 14.0 61.0 1.7 64.0 2.5 72.0 15.8 73.0 1.8 76.0 9.7 77.0 3.9 78.0 4.8 86.0 1.3 87.0 2.6 88.0 18.6 89.0 1.5 90.0 1.0 91.0 4.0 100.0 1.0 102.0 1.0 103.0 7.5 104.0 20.2 105.0 3.4 116.0 36.7 117.0 3.8 118.0 1.9 135.0 2.2 136.0 1.3 148.0 100.0 149.0 10.8 150.0 9.4 251.0 27.5 252.0 67.4 253.0 14.2 254.0 6.9 255.0 1.1 400.0 2.2
400 MHz in CDCl3
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1H NMR 399.65 MHz C18 H28 N2 S4 0.040 g : 0.5 ml CDCl3 p-phenylenedimethylene bis(diethyldithiocarbamate) 
Assign. Shift(ppm)
A 7.331 B 4.517 C *1 4.037 D *1 3.722 E 1.26
Hz ppm Int.2929.93 7.332 1000 1805.42 4.518 800 1624.27 4.065 34 1617.31 4.047 91 1610.23 4.030 92 1603.15 4.012 35 1497.56 3.748 33 1490.48 3.730 87 1483.40 3.712 88 1476.56 3.695 33 1476.32 3.695 33 518.55 1.298 135 515.01 1.289 158 511.60 1.281 276 507.93 1.271 278 504.76 1.264 166 500.98 1.254 136
in CDCl3
KBr disc
nujol mull
