1,2,4,5-Tetra(isopropylthio)benzene(74542-69-1) MS
Product Name1,2,4,5-Tetra(isopropylthio)benzene
CAS74542-69-1
Molecular FormulaC18H30S4
Molecular Weight374.69
InChIInChI=1S/C18H30S4/c1-11(2)19-15-9-17(21-13(5)6)18(22-14(7)8)10-16(15)20-12(3)4/h9-14H,1-8H3
InChIKey GTFNUNQIHYSXTJ-UHFFFAOYSA-N
SmilesC1(SC(C)C)=CC(SC(C)C)=C(SC(C)C)C=C1SC(C)C
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MassMS-IW-4612 1,2,4,5-tetrakis(isopropylthio)benzene C18H30S4 (Mass of molecular ion: 374)
Source Temperature: 140 °C Sample Temperature: 120 °C Direct, 75 eV
27.0 3.1 39.0 1.8 41.0 7.7 42.0 1.4 43.0 15.1 96.0 1.0 101.0 1.2 109.0 1.4 127.0 1.3 139.0 1.6 140.0 2.7 141.0 3.3 142.0 1.1 171.0 3.5 172.0 7.2 173.0 4.0 174.0 2.7 179.0 1.3 180.0 2.4 199.0 1.3 203.0 1.1 204.0 3.4 205.0 6.0 206.0 12.1 207.0 2.2 208.0 2.2 213.0 1.3 214.0 1.9 215.0 1.6 216.0 1.3 217.0 1.2 222.0 2.1 231.0 1.3 241.0 1.7 247.0 3.8 248.0 11.7 249.0 2.2 250.0 2.1 256.0 2.8 257.0 1.0 258.0 1.2 289.0 3.6 290.0 12.1 291.0 2.5 292.0 2.3 298.0 1.0 331.0 5.5 332.0 15.8 333.0 4.0 334.0 3.2 374.0 100.0 375.0 23.1 376.0 20.2 377.0 4.2 378.0 1.7
400 MHz in CDCl3
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1H NMR 399.65 MHz C18 H30 S4 0.037 g : 0.5 ml CDCl3 1,2,4,5-tetrakis(isopropylthio)benzene 
Assign. Shift(ppm)
A 7.299 B 3.452 C 1.332
Hz ppm Int.2917.24 7.300 215 1393.31 3.487 32 1386.72 3.470 81 1380.00 3.454 111 1373.41 3.437 84 1366.70 3.420 35 536.01 1.342 997 529.30 1.325 1000
in CDCl3
