1H-Imidazole-4,5-dimethanol(33457-48-6) MS
Product Name1H-Imidazole-4,5-dimethanol
CAS33457-48-6
Molecular FormulaC5H8N2O2
Molecular Weight128.13
InChIInChI=1S/C5H8N2O2/c8-1-4-5(2-9)7-3-6-4/h3,8-9H,1-2H2,(H,6,7)
InChIKey AGJXDKGTTMVHOU-UHFFFAOYSA-N
SmilesC1NC(CO)=C(CO)N=1
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MassMS-IW-6658 4,5-imidazoledimethanol C5H8N2O2 (Mass of molecular ion: 128)
Source Temperature: 170 °C Sample Temperature: 190 °C Direct, 75 eV
14.0 1.5 15.0 6.6 17.0 9.0 18.0 45.1 26.0 10.7 27.0 25.1 28.0 39.8 29.0 6.3 30.0 1.6 31.0 10.8 37.0 1.1 38.0 2.3 39.0 7.7 40.0 15.3 40.5 1.2 41.0 16.8 42.0 23.7 43.0 4.3 44.0 1.2 51.0 2.8 52.0 13.3 53.0 20.4 54.0 30.6 55.0 11.9 56.0 8.6 57.0 1.2 66.0 8.7 67.0 4.5 68.0 14.1 69.0 9.7 70.0 13.1 79.0 1.8 80.0 2.9 81.0 51.5 82.0 28.6 83.0 15.6 84.0 1.9 93.0 3.0 94.0 10.8 95.0 3.3 97.0 31.0 98.0 2.5 99.0 2.9 107.0 1.6 109.0 84.6 110.0 100.0 111.0 16.5 112.0 1.2 113.0 1.3 127.0 25.6 128.0 87.1 129.0 8.4
400 MHz in DMSO-d6
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1H NMR 399.65 MHz C5 H8 N2 O2 0.038 g : 0.5 ml DMSO-d6 4,5-imidazoledimethanol 
Assign. Shift(ppm)
A 7.478 B 4.408
Hz ppm Int.2988.77 7.479 342 1761.60 4.408 1000
in DMSO-d6
KBr disc
nujol mull
