TRICHLOROACETIC ACID 2-ETHOXYETHYL ESTER(30668-97-4) MS
Product NameTRICHLOROACETIC ACID 2-ETHOXYETHYL ESTER
CAS30668-97-4
Molecular FormulaC6H9Cl3O3
Molecular Weight235.49
InChIInChI=1S/C6H9Cl3O3/c1-2-11-3-4-12-5(10)6(7,8)9/h2-4H2,1H3
InChIKey LEGOWVFXOHMHKG-UHFFFAOYSA-N
SmilesC(OCCOCC)(=O)C(Cl)(Cl)Cl
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MassMS-IW-5651 2-ethoxyethyl trichloroacetate C6H9Cl3O3 (Mass of molecular ion: 234)
Source Temperature: 220 °C Sample Temperature: 150 °C Reservoir, 75 eV
15.0 2.5 19.0 2.2 26.0 1.9 27.0 13.0 28.0 8.2 29.0 32.6 30.0 1.1 31.0 56.3 36.0 5.1 38.0 1.7 41.0 6.0 42.0 1.1 43.0 13.1 44.0 18.5 45.0 82.4 46.0 2.1 47.0 2.3 49.0 1.2 59.0 100.0 60.0 4.4 63.0 4.0 65.0 1.2 72.0 30.0 73.0 8.3 82.0 5.1 83.0 2.1 84.0 3.3 85.0 1.3 110.0 8.3 112.0 5.4 117.0 16.2 119.0 15.5 121.0 5.0 127.0 1.1 135.0 9.3 137.0 3.0 154.0 4.7 156.0 3.1 189.0 10.4 191.0 10.1 193.0 3.3
400 MHz in CDCl3
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1H NMR 399.65 MHz C6 H9 Cl3 O3 0.05 ml : 0.5 ml CDCl3 2-ethoxyethyl trichloroacetate 
Assign. Shift(ppm)
A 4.513 B 3.767 C 3.586 D 1.218
Hz ppm Int.1808.47 4.526 358 1805.30 4.518 243 1803.83 4.514 353 1802.12 4.510 240 1799.07 4.502 367 1510.13 3.779 386 1507.08 3.771 245 1505.37 3.767 356 1503.78 3.763 240 1500.73 3.756 350 1443.97 3.614 201 1437.01 3.596 556 1429.93 3.578 570 1422.97 3.561 213 493.53 1.235 703 486.57 1.218 1000 479.49 1.200 544
in CDCl3
liquid film
