(1S)-(-)-alpha-Pinene(7785-26-4) IR2
Product Name(1S)-(-)-alpha-Pinene
CAS7785-26-4
Molecular FormulaC10H16
Molecular Weight136.23
InChIInChI=1S/C10H16/c1-7-4-5-8-6-9(7)10(8,2)3/h4,8-9H,5-6H2,1-3H3/t8-,9-/m0/s1
InChIKey GRWFGVWFFZKLTI-IUCAKERBSA-N
Smiles[C@@]12([H])C[C@@]([H])(C1(C)C)CC=C2C
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MassMS-NW-0780 (1S)-(-)-2-pinene C10H16 (Mass of molecular ion: 136)
Source Temperature: 220 °C Sample Temperature: 150 °C Reservoir, 75 eV
27.0 7.6 28.0 1.2 29.0 5.1 39.0 10.9 40.0 1.8 41.0 14.0 42.0 1.0 43.0 7.2 50.0 1.0 51.0 3.6 52.0 1.6 53.0 6.5 55.0 5.6 63.0 1.2 65.0 4.0 66.0 1.2 67.0 6.9 68.0 4.8 69.0 2.3 77.0 20.6 78.0 3.1 79.0 17.7 80.0 9.4 81.0 3.6 91.0 23.1 92.0 30.7 93.0 100.0 94.0 9.8 95.0 2.0 103.0 1.0 105.0 8.4 106.0 2.3 107.0 5.9 108.0 1.3 119.0 1.9 121.0 14.7 122.0 1.5 136.0 10.9 137.0 1.2
400 MHz in CDCl3
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1H NMR 399.65 MHz C10 H16 0.05 ml : 0.5 ml CDCl3 (1S)-(-)-2-pinene 
Assign. Shift(ppm)
A 5.184 B 2.332 C *1 2.22 D *1 2.17 E 2.067 F 1.931 G 1.654 J 1.264 K 1.157 L 0.838
Hz ppm Int.2077.39 5.199 42 2075.81 5.195 86 2074.46 5.191 128 2072.75 5.187 161 2071.29 5.183 164 2069.82 5.180 125 2068.24 5.176 86 2066.65 5.172 42 942.02 2.358 91 936.28 2.343 144 933.47 2.336 102 930.79 2.330 117 927.98 2.322 149 922.24 2.308 108 902.71 2.259 34 900.51 2.254 34 900.15 2.253 35 887.94 2.222 61 885.38 2.216 105 882.81 2.209 106 880.62 2.204 64 880.25 2.203 65 873.78 2.187 74 871.34 2.181 123 868.77 2.174 125 866.33 2.168 77 854.00 2.137 40 851.56 2.131 39 834.11 2.088 32 832.64 2.084 45 831.30 2.081 48 829.71 2.077 73 828.37 2.073 76 826.78 2.069 90 825.44 2.066 89 823.97 2.062 73 822.63 2.059 70 820.92 2.055 53 819.58 2.051 49 818.24 2.048 30 777.83 1.947 100 776.37 1.943 101 772.22 1.933 143 770.75 1.929 147 766.60 1.919 78 765.14 1.915 78 664.31 1.663 422 662.60 1.658 585 662.11 1.657 724 660.40 1.653 740 659.91 1.652 543 658.20 1.647 417 505.37 1.265 955 466.80 1.169 266 458.37 1.147 259 334.96 0.839 1000
in CDCl3
CCl4 solution
liquid film
4880 A,200 M,liquid
