DIETHYLENE GLYCOL BIS(P-TOLUENESULFONATE)(7460-82-4) IR2
Product NameDIETHYLENE GLYCOL BIS(P-TOLUENESULFONATE)
CAS7460-82-4
Molecular FormulaC18H22O7S2
Molecular Weight414.49
InChIInChI=1S/C18H22O7S2/c1-15-3-7-17(8-4-15)26(19,20)24-13-11-23-12-14-25-27(21,22)18-9-5-16(2)6-10-18/h3-10H,11-14H2,1-2H3
InChIKey VYVPNTJBGPQTFA-UHFFFAOYSA-N
SmilesO(CCOS(C1=CC=C(C)C=C1)(=O)=O)CCOS(C1=CC=C(C)C=C1)(=O)=O
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MassMS-IW-8374 oxydiethylene ditosylate C18H22O7S2 (Mass of molecular ion: 414)
Source Temperature: 180 °C Sample Temperature: 200 °C Direct, 75 eV
27.0 2.1 28.0 2.4 29.0 1.9 31.0 1.2 39.0 4.2 41.0 2.3 42.0 2.8 43.0 4.0 44.0 3.8 45.0 3.3 48.0 1.1 51.0 2.0 57.0 1.3 63.0 2.9 64.0 3.5 65.0 15.8 66.0 1.0 70.0 14.1 71.0 1.0 73.0 8.8 77.0 3.3 78.0 1.2 79.0 2.5 87.0 2.0 89.0 7.6 90.0 6.9 91.0 100.0 92.0 11.4 105.0 9.3 106.0 1.6 107.0 6.4 108.0 4.0 124.0 2.6 134.0 1.4 139.0 3.9 140.0 1.2 154.0 1.4 155.0 94.3 156.0 8.4 157.0 4.9 172.0 5.1 198.0 17.0 199.0 81.8 200.0 9.7 201.0 4.6 216.0 1.6 229.0 10.7 230.0 1.3 242.0 5.2 243.0 5.2 244.0 1.2 414.0 10.9 415.0 2.4 416.0 1.3
400 MHz in CDCl3
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1H NMR 399.65 MHz C18 H22 O7 S2 0.043 g : 0.5 ml CDCl3 oxydiethylene ditosylate 
Assign. Shift(ppm)
A 7.777 B 7.349 C 4.088 D 3.602 E 2.445
Hz ppm Int.3114.62 7.794 53 3112.55 7.789 332 3110.96 7.785 118 3106.08 7.773 123 3104.25 7.768 380 3102.42 7.763 61 2941.77 7.361 242 2941.16 7.360 283 2933.23 7.340 263 2932.62 7.338 229 1638.67 4.101 278 1635.25 4.092 170 1634.03 4.089 292 1632.69 4.086 169 1629.39 4.078 308 1444.46 3.615 301 1441.16 3.607 160 1439.70 3.603 291 1438.60 3.600 171 1435.06 3.591 278 977.42 2.446 1000
in CDCl3
KBr disc
nujol mull
