trans-Anethole(4180-23-8) IR2
Product Nametrans-Anethole
CAS4180-23-8
Molecular FormulaC10H12O
Molecular Weight148.2
InChIInChI=1S/C10H12O/c1-3-4-9-5-7-10(11-2)8-6-9/h3-8H,1-2H3/b4-3+
InChIKey RUVINXPYWBROJD-ONEGZZNKSA-N
SmilesC1(OC)=CC=C(/C=C/C)C=C1
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MassMS-NW-0721 trans-p-(1-propenyl)anisole C10H12O (Mass of molecular ion: 148)
Source Temperature: 220 °C Sample Temperature: 150 °C Reservoir, 75 eV
15.0 1.9 27.0 4.7 28.0 2.1 38.0 1.3 39.0 7.4 41.0 2.7 43.0 1.0 50.0 4.0 51.0 8.6 52.0 2.7 53.0 2.5 55.0 4.0 62.0 1.8 63.0 5.7 64.0 1.7 65.0 5.6 74.0 2.8 75.0 1.5 76.0 1.7 77.0 17.4 78.0 6.7 79.0 11.0 89.0 3.3 90.0 1.2 91.0 11.5 92.0 1.5 93.0 1.5 102.0 2.4 103.0 9.7 104.0 3.7 105.0 18.6 106.0 2.0 107.0 2.1 115.0 10.7 116.0 5.9 117.0 22.9 118.0 2.9 119.0 2.2 121.0 18.8 122.0 1.8 131.0 3.0 132.0 3.0 133.0 22.7 134.0 2.4 135.0 2.4 136.0 1.5 146.0 1.5 147.0 42.2 148.0 100.0 149.0 11.1
90 MHz in CDCl3
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1H NMR 89.56 MHz C10 H12 O 10.5 mol% in CDCl3 trans-p-(1-propenyl)anisole 
Assign. Shift(ppm)
A 7.21 B 6.80 C 6.29 D 6.07 E 3.729 F 1.824 J(C,D)=15.8HZ
Hz ppm Int.653.00 7.292 118 650.94 7.269 47 644.25 7.194 180 616.81 6.888 38 614.13 6.858 207 611.88 6.833 58 607.38 6.782 52 605.25 6.759 128 561.00 6.264 90 557.44 6.225 35 552.13 6.165 93 546.25 6.100 85 337.25 3.766 1000 168.19 1.878 177 167.31 1.869 240 162.25 1.812 247 161.38 1.802 163
in CDCl3
CCl4 solution
liquid film
4880 A,200 M,liquid
