3-Amino-4-pyrazolecarboxamide hemisulfate(27511-79-1) IR1
Product Name3-Amino-4-pyrazolecarboxamide hemisulfate
CAS27511-79-1
Molecular FormulaC8H14N8O6S
Molecular Weight350.31
InChIInChI=1S/2C4H6N4O.H2O4S/c2*5-3-2(4(6)9)1-7-8-3;1-5(2,3)4/h2*1H,(H2,6,9)(H3,5,7,8);(H2,1,2,3,4)
InChIKey UMPKASYMNORSRO-UHFFFAOYSA-N
SmilesC1(C(=O)N)=CNN=C1N.C1(C(=O)N)=CNN=C1N.S(=O)(=O)(O)O
-
MassMS-IW-0724 3-amino-4-pyrazolecarboxamide hemisulfate C4H6N4O 1/2H2O4S (Mass of molecular ion: 126)
Source Temperature: 190 °C Sample Temperature: 150 °C Direct, 75 eV
27.0 1.9 28.0 8.9 29.0 1.6 39.0 1.1 40.0 2.4 41.0 1.1 43.0 6.5 44.0 4.4 48.0 4.0 51.0 1.0 52.0 12.8 53.0 9.8 54.0 9.8 55.0 2.3 64.0 9.5 66.0 1.4 67.0 1.6 68.0 2.1 80.0 10.2 81.0 3.7 83.0 1.0 108.0 7.5 109.0 92.8 110.0 24.4 111.0 1.4 126.0 100.0 127.0 6.5
400 MHz in DMSO-d6
-
1H NMR 399.65 MHz C4 H6 N4 O 0.037 g : 0.5 ml DMSO-d6 3-amino-4-pyrazolecarboxamide hemisulfate 
Assign. Shift(ppm)
A 8.104
Hz ppm Int.3251.50 8.136 67 3239.14 8.105 1000 3232.27 8.088 96 3227.39 8.076 96
in DMSO-d6
KBr disc
nujol mull
