3,5-PYRAZOLEDICARBOXYLIC ACID(3112-31-0) MS
Product Name3,5-PYRAZOLEDICARBOXYLIC ACID
CAS3112-31-0
Molecular FormulaC5H4N2O4
Molecular Weight156.1
InChIInChI=1S/C5H4N2O4/c8-4(9)2-1-3(5(10)11)7-6-2/h1H,(H,6,7)(H,8,9)(H,10,11)
InChIKey YDMVPJZBYSWOOP-UHFFFAOYSA-N
SmilesN1C(C(O)=O)=CC(C(O)=O)=N1
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MassMS-NW-9421 3,5-pyrazoledicarboxylic acid C5H4N2O4 (Mass of molecular ion: 156)
Source Temperature: 230 °C Sample Temperature: 150 °C Direct, 75 eV
17.0 1.2 18.0 5.1 25.0 1.2 26.0 1.7 27.0 3.9 28.0 15.7 29.0 6.2 33.0 2.4 36.0 1.9 37.0 7.9 38.0 19.9 39.0 23.3 40.0 32.2 41.0 5.4 42.0 1.6 44.0 6.7 45.0 31.8 50.0 1.0 51.0 1.3 52.0 2.4 53.0 11.8 54.0 7.9 55.0 2.8 61.0 3.0 64.0 1.0 65.0 33.6 66.0 35.4 67.0 55.5 68.0 13.2 69.0 2.4 82.0 12.4 83.0 1.0 93.0 15.3 94.0 10.4 95.0 1.7 109.0 1.0 110.0 4.1 112.0 86.6 113.0 4.6 121.0 77.1 122.0 4.9 126.0 4.2 138.0 2.3 139.0 25.1 140.0 1.6 156.0 100.0 157.0 7.2 158.0 1.0
parameter in DMSO-d6
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1H NMR 300 MHz C5 H4 N2 O4 saturated in DMSO-d6 3,5-pyrazoledicarboxylic acid 
Parameter ppm Hz
D(A) 7.156
Hz ppm Int.2146.80 7.156 1000
in DMSO-d6
KBr disc
nujol mull
