BIS(TRIMETHYLENEDITHIO)TETRATHIAFULVALENE(66946-49-4) IR1
Product NameBIS(TRIMETHYLENEDITHIO)TETRATHIAFULVALENE
CAS66946-49-4
Molecular FormulaC12H12S8
Molecular Weight412.74
InChIInChI=1S/C12H12S8/c1-3-13-7-8(14-4-1)18-11(17-7)12-19-9-10(20-12)16-6-2-5-15-9/h1-6H2
InChIKey LSZPCLOYNFOXST-UHFFFAOYSA-N
SmilesS1CCCSC2S/C(=C3\SC4SCCCSC=4S\3)/SC1=2
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MassMS-NW-8576 bis(trimethylenedithio)tetrathiafulvalene C12H12S8 (Mass of molecular ion: 412)
Source Temperature: 210 °C Sample Temperature: 200 °C Direct, 75 eV
39.0 2.2 41.0 4.3 42.0 2.1 44.0 1.1 45.0 4.2 46.0 2.1 58.0 4.4 64.0 1.0 69.0 1.0 70.0 1.3 71.0 2.2 73.0 7.5 74.0 3.6 76.0 4.0 84.0 1.2 85.0 2.5 86.0 1.8 88.0 20.3 89.0 1.5 90.0 2.4 97.0 3.9 100.0 2.8 102.0 6.0 106.0 3.5 112.0 1.1 120.0 1.2 129.0 1.6 130.0 35.9 131.0 2.6 132.0 4.8 133.0 1.7 134.0 1.5 162.0 19.0 163.0 1.6 164.0 2.7 174.0 1.5 178.0 1.1 186.0 1.1 206.0 11.4 207.0 3.3 208.0 2.8 209.0 3.7 222.0 2.0 230.0 1.1 238.0 1.1 250.0 33.0 251.0 4.1 252.0 7.5 262.0 1.8 265.0 1.0 276.0 1.0 283.0 4.3 285.0 1.1 289.0 8.7 290.0 1.3 291.0 2.0 294.0 1.3 303.0 1.1 306.0 11.4 307.0 4.0 308.0 3.7 309.0 1.1 339.0 2.3 340.0 1.1 371.0 2.2 412.0 100.0 413.0 19.4 414.0 36.9 415.0 6.6 416.0 6.1 417.0 1.0
KBr disc
nujol mull
