Acetone thiosemicarbazone (1752-30-3) MS
Product NameAcetone thiosemicarbazone
CAS1752-30-3
Molecular FormulaC4H9N3S
Molecular Weight131.2
InChIInChI=1S/C4H9N3S/c1-3(2)6-7-4(5)8/h1-2H3,(H3,5,7,8)
InChIKey FQUDPIIGGVBZEQ-UHFFFAOYSA-N
SmilesN(C(N)=S)/N=C(/C)\C
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MassMS-NW-1525 acetone thiosemicarbazone C4H9N3S (Mass of molecular ion: 131)
Source Temperature: 260 °C Sample Temperature: 180 °C Reservoir, 75 eV
14.0 1.5 15.0 45.4 16.0 13.9 17.0 18.8 18.0 12.0 26.0 6.2 27.0 18.2 28.0 57.8 29.0 24.0 30.0 26.2 31.0 4.1 32.0 9.2 33.0 3.5 34.0 4.2 37.0 2.6 38.0 5.7 39.0 32.1 40.0 13.9 41.0 42.4 42.0 50.0 43.0 34.8 44.0 9.6 45.0 6.9 46.0 2.2 47.0 3.1 48.0 4.6 51.0 1.8 52.0 3.4 53.0 1.0 54.0 17.5 55.0 27.1 56.0 100.0 57.0 59.8 58.0 12.5 59.0 11.1 60.0 41.8 61.0 2.3 62.0 2.5 67.0 1.3 71.0 7.0 72.0 15.9 73.0 1.8 74.0 7.2 75.0 10.5 76.0 1.2 82.0 1.0 89.0 15.4 90.0 1.7 97.0 5.0 98.0 1.9 99.0 4.1 100.0 7.1 101.0 6.9 114.0 72.7 115.0 4.7 116.0 63.2 117.0 3.4 118.0 2.9 131.0 90.1 132.0 5.8 133.0 4.5
400 MHz in DMSO-d6
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1H NMR 399.65 MHz C4 H9 N3 S 0.037 g : 0.5 ml DMSO-d6 acetone thiosemicarbazone 
Assign. Shift(ppm)
A 9.90 B *1 8.00 C *1 7.52 E *2 1.925 F *2 1.907
Hz ppm Int.3959.05 9.907 61 3194.27 7.993 35 3004.46 7.518 39 769.50 1.926 1000 765.69 1.916 50 762.02 1.907 998
KBr disc
nujol mull
