Tetrakis(methylthio)tetrathiafulvalene(51501-77-0) IR2
Product NameTetrakis(methylthio)tetrathiafulvalene
CAS51501-77-0
Molecular FormulaC10H12S8
Molecular Weight388.72
InChIInChI=1S/C10H12S8/c1-11-5-6(12-2)16-9(15-5)10-17-7(13-3)8(14-4)18-10/h1-4H3
InChIKey LLLXUARUONPZIY-UHFFFAOYSA-N
SmilesS1C(SC)=C(SC)S/C/1=C1/SC(SC)=C(SC)S/1
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MassMS-NW-7006 tetrakis(methylthio)tetrathiafulvalene C10H12S8 (Mass of molecular ion: 388)
Source Temperature: 220 °C Sample Temperature: 160 °C Direct, 75 eV
15.0 2.2 18.0 3.4 44.0 1.7 45.0 5.5 46.0 2.1 47.0 2.1 58.0 2.3 59.0 5.7 61.0 7.0 69.0 1.2 71.0 1.6 76.0 4.4 88.0 23.4 89.0 2.2 90.0 2.3 91.0 30.6 92.0 1.3 93.0 2.8 100.0 2.9 101.0 1.3 103.0 28.5 104.0 2.5 105.0 2.7 112.0 1.5 115.0 5.4 118.0 36.3 119.0 2.5 120.0 3.6 123.0 1.1 135.0 10.1 137.0 1.4 147.0 5.2 149.0 2.3 150.0 13.2 151.0 1.3 152.0 2.0 159.0 2.2 179.0 1.0 190.0 1.2 191.0 1.0 194.0 14.2 194.5 1.1 195.0 3.0 196.0 2.1 223.0 14.9 224.0 1.6 225.0 3.4 226.0 1.1 238.0 39.2 239.0 4.5 240.0 9.0 241.0 1.0 255.0 7.2 257.0 2.0 262.0 3.9 264.0 1.1 270.0 1.0 282.0 2.5 294.0 2.5 297.0 8.7 298.0 1.3 299.0 2.4 309.0 1.6 311.0 1.5 326.0 3.0 328.0 1.1 340.0 5.6 341.0 8.8 342.0 3.4 343.0 3.0 373.0 21.7 374.0 3.7 375.0 8.0 376.0 1.3 377.0 1.3 388.0 100.0 389.0 17.3 390.0 36.4 391.0 6.0 392.0 6.0
in CDCl3
KBr disc
nujol mull
