EINECS 229-606-5(6628-06-4) 13C NMR
Product NameEINECS 229-606-5
CAS6628-06-4
Molecular FormulaC10H12O
Molecular Weight148.2
InChIInChI=1S/C10H12O/c1-3-4-9-7-8(2)5-6-10(9)11/h3,5-7,11H,1,4H2,2H3
InChIKey JVXJWGPWQBPZOI-UHFFFAOYSA-N
SmilesC1(O)=CC=C(C)C=C1CC=C
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MassMS-NW-5755 2-allyl-4-methylphenol C10H12O (Mass of molecular ion: 148)
Source Temperature: 260 °C Sample Temperature: 190 °C Reservoir, 75 eV
27.0 5.3 38.0 1.2 39.0 8.4 40.0 1.3 41.0 4.8 43.0 1.8 50.0 2.6 51.0 7.9 52.0 3.3 53.0 4.0 55.0 4.3 62.0 1.3 63.0 3.8 64.0 3.2 65.0 5.9 66.0 1.7 72.0 1.5 73.0 2.1 74.0 1.1 75.0 1.0 77.0 14.3 78.0 5.3 79.0 5.3 89.0 1.7 91.0 16.1 92.0 4.9 93.0 2.3 102.0 1.3 103.0 5.3 104.0 2.7 105.0 29.7 106.0 3.1 107.0 7.4 108.0 1.2 115.0 11.3 116.0 2.5 117.0 2.1 119.0 6.3 120.0 3.7 121.0 11.1 122.0 1.2 127.0 1.8 128.0 3.4 129.0 5.3 130.0 1.3 131.0 8.2 132.0 5.2 133.0 56.7 134.0 5.6 145.0 2.7 146.0 1.4 147.0 15.6 148.0 100.0 149.0 11.1
90 MHz in CDCl3
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1H NMR 89.56 MHz C10 H12 O 0.04 ml : 0.5 ml CDCl3 2-allyl-4-methylphenol 
Assign. Shift(ppm)
A 6.90 B 6.90 C 6.690 D 5.981 E 5.13 F 5.13 G 4.8 J 3.358 K 2.245
Hz ppm Int.624.63 6.975 32 624.00 6.968 37 621.81 6.943 90 620.06 6.924 75 619.44 6.917 121 618.81 6.910 130 618.13 6.902 132 617.38 6.894 179 616.69 6.886 207 616.00 6.879 206 613.75 6.853 69 602.06 6.723 268 598.50 6.683 40 596.94 6.666 37 593.31 6.625 117 558.19 6.233 36 551.81 6.162 70 548.69 6.127 37 545.63 6.093 41 542.38 6.057 74 540.63 6.037 52 536.19 5.987 45 534.31 5.966 98 531.13 5.931 77 528.13 5.897 57 524.81 5.860 132 518.69 5.792 78 470.44 5.253 34 468.44 5.231 113 466.81 5.213 220 465.31 5.196 172 463.94 5.181 216 462.50 5.165 110 462.00 5.159 83 460.63 5.144 37 455.94 5.091 48 454.44 5.075 101 453.94 5.069 69 452.94 5.058 108 452.50 5.053 147 451.25 5.039 167 449.31 5.017 104 447.69 4.999 50 303.94 3.394 182 302.50 3.378 111 299.13 3.340 96 297.63 3.324 171 296.25 3.308 99 201.06 2.245 1000
in CDCl3
liquid film
4880 A,200 M,liquid
