CARYOPHYLLENE OXIDE(1139-30-6) MS
Product NameCARYOPHYLLENE OXIDE
CAS1139-30-6
Molecular FormulaC15H24O
Molecular Weight220.35
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MassMS2018-05530CM beta-caryophyllene oxide C15H24O (Mass of molecular ion: 220)
Source Temperature: 240 °C Sample Temperature: 20 °C Direct, 70 eV
17.0 2.3 18.0 10.0 27.0 9.8 28.0 2.4 29.0 10.6 39.0 21.6 40.0 4.8 41.0 70.7 42.0 3.7 43.0 61.4 44.0 2.9 45.0 1.9 51.0 4.9 52.0 3.8 53.0 22.9 54.0 4.9 55.0 40.0 56.0 5.3 57.0 5.5 58.0 2.7 59.0 2.0 63.0 1.5 65.0 14.0 66.0 6.5 67.0 46.4 68.0 13.8 69.0 59.7 70.0 5.7 71.0 21.5 72.0 2.0 77.0 40.7 78.0 13.5 79.0 100.0 80.0 19.9 81.0 49.4 82.0 25.9 83.0 23.6 84.0 5.6 85.0 8.5 91.0 72.4 92.0 16.6 93.0 97.8 94.0 30.6 95.0 62.9 96.0 34.3 97.0 10.5 98.0 1.8 99.0 1.3 103.0 3.6 104.0 3.2 105.0 44.2 106.0 47.8 107.0 58.3 108.0 24.0 109.0 53.3 110.0 34.8 111.0 12.4 112.0 1.6 115.0 2.7 116.0 1.4 117.0 7.6 118.0 4.7 119.0 27.5 120.0 26.2 121.0 46.8 122.0 14.9 123.0 28.9 124.0 6.6 125.0 5.5 126.0 2.1 127.0 5.1 128.0 3.0 129.0 1.5 131.0 16.3 132.0 4.8 133.0 19.3 134.0 14.3 135.0 21.5 136.0 16.7 137.0 11.5 138.0 23.5 139.0 4.3 140.0 2.0 145.0 8.6 146.0 6.4 147.0 15.6 148.0 6.3 149.0 19.4 150.0 4.8 151.0 8.6 152.0 2.8 153.0 1.1 159.0 10.0 160.0 3.3 161.0 17.5 162.0 6.3 163.0 10.0 164.0 9.2 165.0 3.8 173.0 2.6 174.0 2.1 175.0 2.1 176.0 7.4 177.0 14.1 178.0 2.8 187.0 9.1 188.0 1.5 189.0 1.8 191.0 3.1 192.0 3.0 202.0 2.0 205.0 7.1 206.0 1.1 220.0 3.9
400 MHz in CDCl3
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1H NMR 399.65 MHz C15 H24 O 0.039 g : 0.5 ml CDCl3 beta-caryophyllene oxide 
Assign. Shift(ppm)
A *1 4.976 B *1 4.859 C 2.878 D 2.618 E 2.339 F 2.249 G 2.11 J 2.10 K 1.764 L 1.69 M 1.65 N 1.62 O 1.426 P 1.327 Q 1.202 R *2 1.007 S *2 0.986 T 0.97 ASSIGNED BY H-H AND C-H COSY. J(C,F)=4.3HZ J(C,P)=10.6HZ J(D,K)=10.1HZ J(E,F)=4.3HZ J(E,G)=-12.6HZ J(E,P)=8.1HZ J(F,G)=12.6HZ J(F,P)=-12.3HZ J(G,P)=4.3HZ J(J,O)=4.2HZ J(J,T)=-13.2HZ J(K,M)=1.1HZ J(K,O)=10.5HZ J(M,T)=5.3HZ J(M,O)=-14.7HZ J(O,T)=13.4HZ
Hz ppm Int.1989.38 4.978 145 1988.16 4.975 152 1942.87 4.862 168 1942.02 4.860 146 1941.16 4.858 156 1157.71 2.897 75 1153.44 2.887 81 1147.09 2.871 81 1142.82 2.860 82 1050.90 2.630 53 1042.36 2.609 55 1032.59 2.584 33 944.58 2.364 32 936.28 2.343 59 931.76 2.332 43 928.10 2.323 33 923.71 2.312 46 905.88 2.267 30 901.73 2.257 51 897.46 2.246 45 893.31 2.236 34 889.77 2.227 40 889.04 2.225 39 857.79 2.147 45 853.15 2.135 47 849.85 2.127 39 845.34 2.116 89 842.16 2.108 68 841.06 2.105 60 838.62 2.099 47 838.01 2.097 48 832.76 2.084 61 829.35 2.076 63 825.93 2.067 38 715.33 1.790 46 705.20 1.765 86 695.56 1.741 51 684.45 1.713 44 676.15 1.692 52 675.66 1.691 52 673.83 1.687 100 670.41 1.678 34 669.31 1.675 34 665.53 1.666 122 662.23 1.658 37 661.13 1.655 35 657.10 1.645 98 654.54 1.638 48 652.34 1.633 46 650.88 1.629 58 649.54 1.626 49 646.48 1.618 150 635.99 1.592 42 577.88 1.446 37 576.78 1.444 42 573.85 1.436 33 563.35 1.410 45 547.61 1.371 31 543.33 1.360 35 539.55 1.351 33 536.99 1.344 33 535.16 1.340 55 532.71 1.333 35 530.64 1.328 33 528.93 1.324 33 527.22 1.320 33 524.54 1.313 55 522.58 1.308 31 520.02 1.302 30 480.71 1.203 738 480.22 1.202 735 402.71 1.008 802 394.04 0.986 1000 389.16 0.974 94 384.03 0.961 69 376.22 0.942 34
in CDCl3
KBr disc
nujol mull
