2,2'-DITHIODIPROPIONIC ACID(4775-93-3) IR1
Product Name2,2'-DITHIODIPROPIONIC ACID
CAS4775-93-3
Molecular FormulaC6H10O4S2
Molecular Weight210.27
InChIInChI=1S/C6H10O4S2/c1-3(5(7)8)11-12-4(2)6(9)10/h3-4H,1-2H3,(H,7,8)(H,9,10)
InChIKey UTDRPUGFHHVEDG-UHFFFAOYSA-N
SmilesS(C(C)C(O)=O)SC(C)C(O)=O
-
MassMS-NW-2281 2,2'-dithiodipropionic acid C6H10O4S2 (Mass of molecular ion: 210)
Source Temperature: 210 °C Sample Temperature: 170 °C Direct, 75 eV
15.0 1.4 17.0 2.7 18.0 12.8 25.0 1.8 26.0 10.0 27.0 33.1 28.0 9.5 29.0 9.8 32.0 3.8 33.0 4.4 34.0 7.9 35.0 16.4 36.0 1.3 39.0 1.1 43.0 3.8 44.0 11.9 45.0 27.4 46.0 2.6 47.0 3.5 53.0 1.7 54.0 1.1 55.0 13.3 56.0 6.4 57.0 6.4 58.0 20.4 59.0 39.2 60.0 27.5 61.0 100.0 62.0 4.5 63.0 5.4 64.0 3.0 71.0 1.1 72.0 1.5 73.0 7.0 74.0 8.0 76.0 1.1 78.0 2.4 88.0 6.9 89.0 1.2 92.0 2.9 93.0 4.9 104.0 8.9 106.0 40.8 107.0 3.2 108.0 2.4 109.0 1.5 119.0 3.8 120.0 4.0 121.0 1.8 147.0 1.3 210.0 5.7
90 MHz in CDCl3
-
1H NMR 89.56 MHz C6 H10 O4 S2 0.043 g : 0.5 ml CDCl3 2,2'-dithiodipropionic acid 
Assign. Shift(ppm)
A 9.4 B 3.57 C 1.51 OPTICALLY ACTIVE COMPOUND.
Hz ppm Int.840.14 9.381 67 330.60 3.692 96 323.43 3.612 339 321.72 3.593 35 316.16 3.531 360 314.28 3.510 35 309.16 3.452 113 140.73 1.572 101 138.94 1.552 743 138.26 1.544 1000 134.75 1.505 68 133.47 1.491 105 131.76 1.472 676 131.08 1.464 864 129.11 1.442 114 127.40 1.423 44
KBr disc
nujol mull
