Methyl tiglate(6622-76-0) Raman
Product NameMethyl tiglate
CAS6622-76-0
Molecular FormulaC6H10O2
Molecular Weight114.14
InChIInChI=1S/C6H10O2/c1-4-5(2)6(7)8-3/h4H,1-3H3/b5-4+
InChIKey YYJWBYNQJLBIGS-SNAWJCMRSA-N
SmilesC(OC)(=O)/C(/C)=C/C
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MassMS-NW-4266 methyl (E)-2-methyl-2-butenoate C6H10O2 (Mass of molecular ion: 114)
Source Temperature: 250 °C Sample Temperature: 180 °C Reservoir, 75 eV
15.0 11.3 26.0 2.7 27.0 21.6 28.0 4.5 29.0 24.9 31.0 1.0 38.0 1.4 39.0 17.6 40.0 1.7 41.0 5.1 43.0 4.9 45.0 1.5 50.0 2.5 51.0 3.7 52.0 1.8 53.0 13.3 54.0 12.6 55.0 100.0 56.0 5.5 59.0 9.4 69.0 1.5 71.0 2.4 81.0 2.1 82.0 11.3 83.0 54.8 84.0 3.4 99.0 14.3 114.0 47.9 115.0 3.4
400 MHz in CDCl3
90 MHz in CDCl3
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1H NMR 399.65 MHz C6 H10 O2 0.05 ml : 0.5 ml CDCl3 methyl (E)-2-methyl-2-butenoate 
Assign. Shift(ppm)
A 6.856 B 3.730 C 1.836 D 1.790
Hz ppm Int.2751.59 6.886 34 2750.12 6.882 34 2745.97 6.871 41 2744.51 6.868 103 2743.04 6.864 101 2741.58 6.860 40 2738.89 6.854 42 2737.43 6.850 103 2735.96 6.846 101 2734.50 6.843 39 2730.35 6.832 36 2728.88 6.829 34 1490.72 3.731 1000 736.21 1.843 221 734.99 1.840 458 733.76 1.837 548 732.42 1.833 442 731.20 1.830 212 720.70 1.804 204 719.60 1.801 373 718.38 1.798 326 717.29 1.795 136 713.62 1.786 186 712.52 1.783 364 711.30 1.780 338 710.08 1.777 155
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1H NMR 89.56 MHz C6 H10 O2 0.04 ml : 0.5 ml CDCl3 methyl (E)-2-methyl-2-butenoate Assign. Shift(ppm)
A 6.86 B 3.730 C 1.828 D 1.80 J(C,D)=1.2HZ
Hz ppm Int.616.63 6.886 25 611.00 6.823 27 335.06 3.742 41 334.06 3.731 969 166.88 1.864 30 165.75 1.851 126 164.56 1.838 178 163.69 1.828 1000 162.19 1.811 33 158.19 1.767 60 157.13 1.755 134 156.00 1.742 94 154.81 1.729 27
in CDCl3
CCl4 solution
liquid film
4880 A,200 M,liquid
