ETHYL 5-METHYL-1H-IMIDAZOLE-4-CARBOXYLATE(51605-32-4) MS
Product NameETHYL 5-METHYL-1H-IMIDAZOLE-4-CARBOXYLATE
CAS51605-32-4
Molecular FormulaC7H10N2O2
Molecular Weight154.17
InChIInChI=1S/C7H10N2O2/c1-3-11-7(10)6-5(2)8-4-9-6/h4H,3H2,1-2H3,(H,8,9)
InChIKey VLDUBDZWWNLZCU-UHFFFAOYSA-N
SmilesC1NC(C(OCC)=O)=C(C)N=1
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MassMS-NW-8235 ethyl 4-methyl-5-imidazolecarboxylate C7H10N2O2 (Mass of molecular ion: 154)
Source Temperature: 180 °C Sample Temperature: 110 °C Direct, 75 eV
15.0 1.2 18.0 1.9 26.0 3.9 27.0 16.3 28.0 25.3 29.0 12.3 39.0 2.2 40.0 4.1 41.0 1.3 42.0 7.1 43.0 1.8 45.0 1.8 51.0 1.3 52.0 10.2 53.0 13.2 54.0 16.3 55.0 2.6 67.0 11.6 68.0 8.9 71.0 1.3 79.0 2.6 80.0 24.5 81.0 20.9 82.0 11.2 83.0 2.3 99.0 3.5 107.0 24.5 108.0 79.2 109.0 90.2 110.0 16.4 111.0 1.2 125.0 55.5 126.0 32.5 127.0 2.3 154.0 100.0 155.0 9.4
90 MHz in DMSO-d6
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1H NMR 89.56 MHz C7 H10 N2 O2 0.035 g : 0.5 ml DMSO-d6 ethyl 4-methyl-5-imidazolecarboxylate 
Assign. Shift(ppm)
A 12.5 B 7.620 C 4.218 D 2.413 E 1.278 J(C,E)=7.1HZ
Hz ppm Int.
682.57 7.622 269 388.71 4.341 76 381.62 4.262 230 374.52 4.182 241 367.43 4.103 88 228.58 2.553 134 226.95 2.535 222 223.45 2.495 209 221.66 2.475 120 220.12 2.458 75 216.19 2.414 1000 211.06 2.357 40 209.95 2.345 35 121.42 1.356 253 114.33 1.277 499 107.15 1.197 226
in DMSO-d6
KBr disc
nujol mull
