Allyl chloroacetate(2916-14-5) 13C NMR
Product NameAllyl chloroacetate
CAS2916-14-5
Molecular FormulaC5H7ClO2
Molecular Weight134.56
InChIInChI=1S/C5H7ClO2/c1-2-3-8-5(7)4-6/h2H,1,3-4H2
InChIKey VMBJJCDVORDOCF-UHFFFAOYSA-N
SmilesC(OCC=C)(=O)CCl
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MassMS-NW-2177 allyl chloroacetate C5H7ClO2 (Mass of molecular ion: 134)
Source Temperature: 270 °C Sample Temperature: 170 °C Reservoir, 75 eV
14.0 2.8 15.0 2.9 18.0 1.3 26.0 3.5 27.0 10.8 28.0 2.9 29.0 8.1 30.0 1.1 31.0 2.8 37.0 1.2 38.0 3.2 39.0 36.0 40.0 9.8 41.0 100.0 42.0 12.4 43.0 4.0 44.0 1.0 48.0 1.4 49.0 24.3 50.0 2.3 51.0 8.0 55.0 3.1 57.0 25.3 58.0 69.4 59.0 2.5 70.0 1.6 71.0 3.6 75.0 1.3 76.0 3.1 77.0 50.2 78.0 2.2 79.0 15.4 85.0 21.1 95.0 2.0 99.0 1.0
90 MHz in CDCl3
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1H NMR 89.56 MHz C5 H7 Cl O2 0.04 ml : 0.5 ml CDCl3 allyl chloroacetate 
Assign. Shift(ppm)
A 5.91 B 5.37 C 5.29 D 4.687 E 4.094
Hz ppm Int.546.56 6.103 34 536.56 5.992 43 535.19 5.976 38 531.13 5.931 31 529.38 5.911 56 525.19 5.865 50 523.94 5.851 43 519.38 5.800 77 514.00 5.740 63 490.38 5.476 37 489.00 5.461 88 488.56 5.456 72 487.25 5.441 135 485.94 5.426 66 480.06 5.361 61 478.94 5.348 117 477.88 5.336 74 477.25 5.329 78 476.25 5.318 40 473.25 5.285 34 471.81 5.269 72 470.19 5.251 74 468.94 5.237 80 468.38 5.230 48 467.81 5.224 51 467.25 5.218 75 466.19 5.206 45 423.56 4.730 124 422.50 4.718 195 421.19 4.703 118 418.00 4.668 100 416.81 4.654 184 415.50 4.640 112 366.69 4.095 1000
in CDCl3
CCl4 solution
liquid film
