Ammonium 1-pyrrolidinedithiocarbamate(5108-96-3) IR1
Product NameAmmonium 1-pyrrolidinedithiocarbamate
CAS5108-96-3
Molecular FormulaC5H9NS2.H3N
Molecular Weight164.3
InChIInChI=1S/C5H9NS2.H3N/c7-5(8)6-3-1-2-4-6;/h1-4H2,(H,7,8);1H3
InChIKey MDDIUTVUBYEEEM-UHFFFAOYSA-N
SmilesN1(CCCC1)C(=S)S.N
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MassMS-NW-1972 ammonium 1-pyrrolidinecarbodithioate C5H12N2S2 (Mass of molecular ion: 164)
Source Temperature: 160 °C Sample Temperature: 100 °C Direct, 75 eV
15.0 3.3 16.0 11.5 17.0 18.1 18.0 3.1 26.0 2.0 27.0 12.9 28.0 20.7 29.0 7.7 30.0 6.0 32.0 10.2 38.0 2.5 39.0 9.0 40.0 2.2 41.0 15.8 42.0 8.1 43.0 31.1 44.0 12.9 45.0 5.2 46.0 1.2 53.0 2.7 54.0 3.3 55.0 51.1 56.0 3.1 58.0 2.2 59.0 2.7 60.0 5.0 64.0 2.6 68.0 4.1 69.0 1.2 70.0 29.4 71.0 9.4 72.0 77.7 73.0 3.0 74.0 3.5 76.0 100.0 77.0 10.1 78.0 10.0 85.0 3.7 86.0 17.7 87.0 1.9 114.0 66.8 115.0 7.7 116.0 3.3 146.0 2.5 147.0 80.2 148.0 6.2 149.0 7.0
400 MHz in DMSO-d6
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1H NMR 399.65 MHz C5 H12 N2 S2 0.041 g : 0.5 ml DMSO-d6 ammonium 1-pyrrolidinecarbodithioate 
Assign. Shift(ppm)
A 7.23 B 3.666 C 1.844
Hz ppm Int.2887.21 7.225 135 1487.18 3.722 26 1481.45 3.707 54 1465.21 3.667 995 1441.28 3.607 22 742.80 1.859 493 736.45 1.843 1000 714.11 1.787 26 712.77 1.784 22
in DMSO-d6
KBr disc
nujol mull
