4,5-Imidazoledicarboxylic acid(570-22-9) 1H NMR
Product Name4,5-Imidazoledicarboxylic acid
CAS570-22-9
Molecular FormulaC5H4N2O4
Molecular Weight156.1
InChIInChI=1S/C5H4N2O4/c8-4(9)2-3(5(10)11)7-1-6-2/h1H,(H,6,7)(H,8,9)(H,10,11)
InChIKey ZEVWQFWTGHFIDH-UHFFFAOYSA-N
SmilesC1NC(C(O)=O)=C(C(O)=O)N=1
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MassMS-IW-0829 4,5-imidazoledicarboxylic acid C5H4N2O4 (Mass of molecular ion: 156)
Source Temperature: 180 °C Sample Temperature: 230 °C Direct, 75 eV
18.0 3.1 27.0 2.2 28.0 15.9 29.0 2.8 38.0 3.1 39.0 5.5 40.0 21.0 41.0 10.8 42.0 1.2 44.0 64.0 45.0 4.0 56.0 1.0 57.0 1.1 65.0 1.1 66.0 2.5 67.0 34.9 68.0 32.4 69.0 1.6 84.0 1.5 85.0 1.0 93.0 1.0 94.0 45.5 95.0 20.6 96.0 1.2 112.0 100.0 113.0 6.7 121.0 8.2 139.0 2.1 156.0 10.4 157.0 1.6
KBr disc
nujol mull
