Product Name3,3'-THIODIPROPIONITRILE
CAS111-97-7
Molecular FormulaC6H8N2S
Molecular Weight140.21
InChIInChI=1S/C6H8N2S/c7-3-1-5-9-6-2-4-8/h1-2,5-6H2
InChIKey NDVLTZFQVDXFAN-UHFFFAOYSA-N
SmilesS(CCC#N)CCC#N
Mass
MS-NW-1454 3,3'-thiodipropionitrile C6H8N2S (Mass of molecular ion: 140)
Source Temperature: 260 °C Sample Temperature: 170 °C Reservoir, 75 eV
18.0 4.1 26.0 5.2 27.0 9.7 28.0 8.3 31.0 1.0 32.0 1.5 39.0 1.3 40.0 1.3 41.0 4.3 42.0 4.0 45.0 15.3 46.0 6.9 47.0 9.7 51.0 2.1 52.0 5.8 53.0 2.6 54.0 100.0 55.0 5.8 57.0 2.2 58.0 3.0 59.0 6.5 60.0 4.2 72.0 1.9 73.0 5.3 86.0 1.1 100.0 54.5 101.0 3.2 102.0 2.6 113.0 5.0 140.0 22.2 141.0 1.9 142.0 1.2
90 MHz in CDCl3
1H NMR | 89.56 MHz |
C6 H8 N2 S | 0.04 ml : 0.5 ml CDCl3 |
3,3'-thiodipropionitrile |
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Assign. Shift(ppm) |
Hz ppm Int.
269.06 3.005 149 266.06 2.971 209 263.94 2.948 179 260.19 2.906 394 259.63 2.899 1000 257.25 2.873 43 256.69 2.867 37 255.13 2.849 596 254.00 2.837 704 251.19 2.805 33 248.06 2.770 691 246.94 2.758 601 245.06 2.737 43 244.06 2.726 32 242.38 2.707 922 241.81 2.700 374 238.06 2.659 179 235.94 2.635 210 232.94 2.601 152
in CDCl3
KBr disc
liquid film
nujol mull
3,3'-THIODIPROPIONITRILE(111-97-7) IR1 Atlas of Related Products
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