ACETONE SEMICARBAZONE(110-20-3) IR1
Product NameACETONE SEMICARBAZONE
CAS110-20-3
Molecular FormulaC4H9N3O
Molecular Weight115.13
InChIInChI=1S/C4H9N3O/c1-3(2)6-7-4(5)8/h1-2H3,(H3,5,7,8)
InChIKey HQDAJGNZGNZGCO-UHFFFAOYSA-N
SmilesN(C(N)=O)/N=C(/C)\C
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MassMS-NW-5039 acetone semicarbazone C4H9N3O (Mass of molecular ion: 115)
Source Temperature: 260 °C Sample Temperature: 190 °C Reservoir, 75 eV
12.0 1.2 14.0 2.8 15.0 20.7 16.0 15.2 17.0 19.6 18.0 8.0 25.0 1.2 26.0 7.1 27.0 31.4 28.0 41.8 29.0 7.7 30.0 30.7 31.0 5.3 32.0 13.9 37.0 2.2 38.0 5.9 39.0 23.9 40.0 21.3 41.0 53.7 42.0 49.5 43.0 29.6 44.0 21.6 51.0 1.0 52.0 1.6 54.0 15.2 55.0 25.8 56.0 12.5 57.0 73.7 58.0 3.5 70.0 5.1 71.0 3.7 72.0 100.0 73.0 4.8 74.0 2.7 83.0 4.1 85.0 1.8 97.0 2.2 98.0 19.1 99.0 2.3 100.0 9.9 112.0 2.1 115.0 29.2 116.0 1.9
400 MHz in DMSO-d6
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1H NMR 399.65 MHz C4 H9 N3 O 0.035 g : 0.5 ml DMSO-d6 acetone semicarbazone 
Assign. Shift(ppm)
A 8.97 B 6.22 C *1 1.876 D *1 1.793
Hz ppm Int.3584.59 8.970 101 2487.18 6.224 79 749.66 1.876 966 716.40 1.793 1000
KBr disc
nujol mull
4880 A,200 M,powder
