Triethyl orthoacetate(78-39-7) IR2
Product NameTriethyl orthoacetate
CAS78-39-7
Molecular FormulaC8H18O3
Molecular Weight162.23
InChIInChI=1S/C8H18O3/c1-5-9-8(4,10-6-2)11-7-3/h5-7H2,1-4H3
InChIKey NDQXKKFRNOPRDW-UHFFFAOYSA-N
SmilesC(OCC)(OCC)(OCC)C
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MassMS-NW-2107 triethyl orthoacetate C8H18O3 (Mass of molecular ion: 162)
Source Temperature: 250 °C Sample Temperature: 170 °C Reservoir, 75 eV
14.0 3.8 15.0 9.4 18.0 1.4 19.0 2.9 26.0 6.8 27.0 34.7 28.0 9.7 29.0 59.5 30.0 3.5 31.0 72.6 41.0 3.3 42.0 54.9 43.0 100.0 44.0 4.0 45.0 57.8 46.0 12.7 47.0 1.0 59.0 2.3 60.0 95.9 61.0 45.7 62.0 1.4 63.0 1.1 70.0 5.2 71.0 1.7 72.0 1.1 73.0 3.0 87.0 4.2 88.0 2.3 89.0 16.7 116.0 30.8 117.0 11.2
90 MHz in CDCl3
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1H NMR 89.56 MHz C8 H18 O3 0.04 ml : 0.5 ml CDCl3 triethyl orthoacetate 
Assign. Shift(ppm)
A 3.541 B 1.463 C 1.205
Hz ppm Int.328.13 3.664 129 321.00 3.585 474 313.88 3.505 506 306.88 3.427 159 131.00 1.463 750 117.50 1.312 21 114.75 1.282 507 112.69 1.259 46 110.56 1.235 36 109.94 1.228 26 107.69 1.203 1000 100.56 1.123 434
in CDCl3
CCl4 solution
liquid film
4880 A,200 M,liquid
