Bromoacetaldehyde diethyl acetal(2032-35-1) IR1
Product NameBromoacetaldehyde diethyl acetal
CAS2032-35-1
Molecular FormulaC6H13BrO2
Molecular Weight197.07
InChIInChI=1S/C6H13BrO2/c1-3-8-6(5-7)9-4-2/h6H,3-5H2,1-2H3
InChIKey LILXDMFJXYAKMK-UHFFFAOYSA-N
SmilesC(OCC)(OCC)CBr
-
MassMS-NW-1223 bromoacetaldehyde diethyl acetal C6H13BrO2 (Mass of molecular ion: 196)
Source Temperature: 260 °C Sample Temperature: 180 °C Reservoir, 75 eV
14.0 1.4 15.0 10.0 18.0 1.3 19.0 3.9 26.0 2.7 27.0 21.2 28.0 4.9 29.0 50.5 30.0 1.2 31.0 9.9 41.0 1.5 42.0 3.6 43.0 23.0 44.0 7.7 45.0 12.4 47.0 92.0 48.0 1.0 61.0 5.4 71.0 1.0 72.0 1.2 75.0 36.7 76.0 1.3 89.0 3.9 93.0 2.1 94.0 1.5 95.0 2.1 96.0 1.3 103.0 100.0 104.0 5.8 117.0 1.3 121.0 1.3 122.0 2.5 123.0 50.5 124.0 3.3 125.0 47.7 126.0 1.1 137.0 1.0 139.0 2.3 141.0 1.2 151.0 31.9 152.0 1.9 153.0 30.8 154.0 1.4
parameter neat
90 MHz in CDCl3
-
1H NMR 300 MHz C6 H13 Br O2 neat bromoacetaldehyde diethyl acetal 
Parameter ppm Hz
D(A) 1.171 D(B) *1 3.630 D(C) *1 3.521 J(A,B) 7.05 J(A,C) 7.05 J(B,C) -9.34 D(D) 4.617 D(E) 3.318 J(D,E) 5.52 RATTET,L.S. & GOLDSTEIN,J.H. ORG.MAGN.RESON. 1, 229 (1969)
Hz ppm Int.1390.66 4.636 82 1385.13 4.617 166 1379.64 4.599 86 1104.96 3.683 30 1097.90 3.660 90 1095.64 3.652 55 1090.83 3.636 95 1088.57 3.629 159 1083.80 3.613 37 1081.51 3.605 160 1074.44 3.581 56 1070.97 3.570 53 1063.91 3.546 155 1061.62 3.539 35 1056.84 3.523 161 1054.58 3.515 93 1049.81 3.499 58 1047.55 3.492 92 1040.52 3.468 32 998.15 3.327 339 992.65 3.309 327 358.31 1.194 504 351.28 1.171 1000 344.25 1.147 485
-
1H NMR 89.56 MHz C6 H13 Br O2 0.04 ml : 0.5 ml CDCl3 bromoacetaldehyde diethyl acetal Assign. Shift(ppm)
A 4.667 B *1 3.70 C *1 3.59 D 3.371 E 1.239 THE VALUES WERE OBTAINED AT 400MHZ.
Hz ppm Int.423.69 4.731 69 418.25 4.671 143 412.81 4.610 84 341.69 3.816 38 339.50 3.791 61 334.63 3.737 98 332.31 3.711 175 327.63 3.659 189 325.19 3.631 196 320.69 3.581 182 318.19 3.553 107 313.75 3.504 72 311.31 3.476 41 304.38 3.399 438 298.94 3.338 359 117.75 1.315 482 110.75 1.237 1000 103.69 1.158 419
in CDCl3
CCl4 solution
liquid film
