Diethyl carbonate(105-58-8) MS
Product NameDiethyl carbonate
CAS105-58-8
Molecular FormulaC5H10O3
Molecular Weight118.13
InChIInChI=1S/C5H10O3/c1-3-7-5(6)8-4-2/h3-4H2,1-2H3
InChIKey OIFBSDVPJOWBCH-UHFFFAOYSA-N
SmilesC(=O)(OCC)OCC
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MassMS-NW-0581 diethyl carbonate C5H10O3 (Mass of molecular ion: 118)
Source Temperature: 280 °C Sample Temperature: 170 °C Reservoir, 75 eV
14.0 1.1 15.0 4.8 19.0 3.4 26.0 4.3 27.0 26.4 28.0 14.9 29.0 100.0 30.0 2.5 31.0 76.5 41.0 2.5 43.0 4.9 44.0 4.8 45.0 99.4 46.0 3.9 47.0 3.3 59.0 6.0 63.0 16.8 75.0 1.6 90.0 1.6 91.0 35.1 92.0 1.1
90 MHz in CDCl3
parameter in CDCl3
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1H NMR 89.56 MHz C5 H10 O3 0.04 ml : 0.5 ml CDCl3 diethyl carbonate 
Assign. Shift(ppm)
A 4.186 B 1.307
Hz ppm Int.385.94 4.310 124 378.81 4.230 487 371.69 4.151 514 364.63 4.072 146 124.06 1.386 489 117.00 1.307 1000 109.81 1.227 430
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1H NMR 300 MHz C5 H10 O3 0.04 ml : 0.5 ml CDCl3 diethyl carbonate Parameter ppm Hz
D(A) 4.186 D(B) 1.307 J(A,B) 7.12
Hz ppm Int.1266.54 4.222 163 1259.41 4.198 494 1252.31 4.174 499 1245.18 4.151 171 399.20 1.331 507 392.10 1.307 1000 384.97 1.283 489
in CDCl3
CCl4 solution
liquid film
4880 A,200 M,liquid
