Product NameEthyl trichloroacetate
CAS515-84-4
Molecular FormulaC4H5Cl3O2
Molecular Weight191.44
InChIInChI=1S/C4H5Cl3O2/c1-2-9-3(8)4(5,6)7/h2H2,1H3
InChIKey SJMLNDPIJZBEKY-UHFFFAOYSA-N
SmilesC(OCC)(=O)C(Cl)(Cl)Cl
Mass
MS-IW-6144 ethyl trichloroacetate C4H5Cl3O2 (Mass of molecular ion: 190)
Source Temperature: 200 °C Sample Temperature: 150 °C Reservoir, 75 eV
15.0 1.4 26.0 1.8 27.0 21.8 28.0 4.6 29.0 100.0 30.0 5.1 36.0 1.8 43.0 2.8 44.0 2.9 45.0 2.9 47.0 5.7 49.0 2.3 63.0 3.6 65.0 1.2 73.0 1.6 82.0 9.1 83.0 8.7 84.0 5.8 85.0 5.6 86.0 1.0 99.0 1.3 110.0 3.7 111.0 6.3 112.0 2.5 113.0 4.1 117.0 31.1 119.0 30.0 121.0 9.7 123.0 1.0 127.0 1.1 145.0 1.6 147.0 2.3 149.0 1.3 155.0 6.7 157.0 4.3
parameter neat
400 MHz in CDCl3
1H NMR | 300 MHz |
C4 H5 Cl3 O2 | neat |
ethyl trichloroacetate |
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Parameter ppm Hz |
Hz ppm Int.
1335.22 4.451 163 1328.12 4.427 494 1320.99 4.403 502 1313.89 4.380 171 426.77 1.423 507 419.70 1.399 1000 412.60 1.375 491
1H NMR | 399.65 MHz |
C4 H5 Cl3 O2 | 0.05 ml : 0.5 ml CDCl3 |
ethyl trichloroacetate |
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Assign. Shift(ppm) |
Hz ppm Int.
1785.03 4.467 216 1777.95 4.449 573 1770.75 4.431 590 1763.67 4.414 228 574.46 1.438 598 571.90 1.432 21 567.26 1.420 1000 560.18 1.402 597
in CDCl3
liquid film
4880 A,200 M,liquid
Ethyl trichloroacetate(515-84-4) 13C NMR Atlas of Related Products