Dimethyl 4,5-imidazoledicarboxylate(3304-70-9) MS
Product NameDimethyl 4,5-imidazoledicarboxylate
CAS3304-70-9
Molecular FormulaC7H8N2O4
Molecular Weight184.15
InChIInChI=1S/C7H8N2O4/c1-12-6(10)4-5(7(11)13-2)9-3-8-4/h3H,1-2H3,(H,8,9)
InChIKey CUIWFAXEALIQJS-UHFFFAOYSA-N
SmilesC1NC(C(OC)=O)=C(C(OC)=O)N=1
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MassMS-IW-6469 dimethyl 4,5-imidazoledicarboxylate C7H8N2O4 (Mass of molecular ion: 184)
Source Temperature: 150 °C Sample Temperature: 150 °C Direct, 75 eV
15.0 1.8 28.0 1.5 39.0 1.6 40.0 1.3 42.0 1.5 44.0 1.4 59.0 1.3 65.0 1.7 67.0 6.0 68.0 6.5 70.0 1.1 93.0 1.4 94.0 8.4 95.0 2.0 96.0 8.4 121.0 54.9 122.0 4.4 123.0 5.4 126.0 21.1 127.0 1.4 153.0 100.0 154.0 15.6 155.0 1.5 184.0 35.2 185.0 3.9
400 MHz in DMSO-d6
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1H NMR 399.65 MHz C7 H8 N2 O4 0.041 g : 0.5 ml DMSO-d6 dimethyl 4,5-imidazoledicarboxylate 
Assign. Shift(ppm)
A 7.933 B 3.826
Hz ppm Int.3170.41 7.933 246 1529.17 3.827 1000
in DMSO-d6
KBr disc
nujol mull
