Ethyl tiglate(5837-78-5) Raman
Product NameEthyl tiglate
CAS5837-78-5
Molecular FormulaC7H12O2
Molecular Weight128.17
InChIInChI=1S/C7H12O2/c1-4-6(3)7(8)9-5-2/h4H,5H2,1-3H3/b6-4+
InChIKey OAPHLAAOJMTMLY-GQCTYLIASA-N
SmilesC(OCC)(=O)/C(/C)=C/C
-
MassMS-NW-4693 ethyl (E)-2-methyl-2-butenoate C7H12O2 (Mass of molecular ion: 128)
Source Temperature: 260 °C Sample Temperature: 170 °C Reservoir, 75 eV
14.0 1.9 15.0 1.6 18.0 1.6 26.0 3.0 27.0 23.8 28.0 15.5 29.0 38.3 38.0 1.0 39.0 14.1 40.0 1.6 41.0 5.2 43.0 5.4 45.0 5.5 50.0 1.9 51.0 2.8 52.0 1.5 53.0 9.8 54.0 11.8 55.0 100.0 56.0 7.8 57.0 1.3 69.0 2.3 73.0 1.5 81.0 1.3 82.0 12.0 83.0 84.4 84.0 5.7 85.0 10.5 99.0 2.6 100.0 28.5 101.0 1.8 113.0 22.3 114.0 1.7 128.0 19.5 129.0 1.6
90 MHz in CDCl3
-
1H NMR 89.56 MHz C7 H12 O2 0.04 ml : 0.5 ml CDCl3 ethyl (E)-2-methyl-2-butenoate 
Assign. Shift(ppm)
A 1.289 B 1.79 C 1.823 D 4.180 E 6.85 J(B,C)=1.1HZ
Hz ppm Int.616.69 6.886 22 615.81 6.876 26 610.19 6.814 29 385.50 4.305 41 378.25 4.224 156 371.13 4.144 164 364.13 4.066 49 166.50 1.860 34 165.38 1.847 124 164.25 1.834 178 163.25 1.823 1000 157.75 1.762 60 156.69 1.750 142 155.56 1.737 102 154.44 1.725 31 122.38 1.367 172 115.31 1.288 382 108.13 1.208 151
in CDCl3
CCl4 solution
liquid film
4880 A,200 M,liquid
