4,4-DIMETHYL-3-THIOSEMICARBAZIDE(6926-58-5) IR1
Product Name4,4-DIMETHYL-3-THIOSEMICARBAZIDE
CAS6926-58-5
Molecular FormulaC3H9N3S
Molecular Weight119.19
InChIInChI=1S/C3H9N3S/c1-6(2)3(7)5-4/h4H2,1-2H3,(H,5,7)
InChIKey FCPHVJQWZFNNKD-UHFFFAOYSA-N
SmilesN(C(N(C)C)=S)N
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MassMS-IW-8617 4,4-dimethylthiosemicarbazide C3H9N3S (Mass of molecular ion: 119)
Source Temperature: 150 °C Sample Temperature: 110 °C Direct, 75 eV
15.0 2.7 18.0 1.7 28.0 3.6 30.0 2.1 31.0 1.2 42.0 11.8 43.0 5.0 44.0 17.3 45.0 2.5 46.0 1.9 47.0 3.6 56.0 3.4 59.0 1.7 60.0 2.4 61.0 1.7 69.0 1.8 71.0 1.9 72.0 2.7 73.0 9.7 74.0 6.2 75.0 2.6 76.0 1.6 88.0 89.1 89.0 6.2 90.0 4.3 102.0 3.2 104.0 1.3 119.0 100.0 120.0 7.1 121.0 4.8
400 MHz in CDCl3
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1H NMR 399.65 MHz C3 H9 N3 S 0.040 g : 0.5 ml CDCl3 4,4-dimethylthiosemicarbazide 
Assign. Shift(ppm)
A 7.3 B 4.3 C 3.259
Hz ppm Int.1302.61 3.260 1000
in CDCl3
KBr disc
nujol mull
