(-)-PERILLALDEHYDE(18031-40-8) 13C NMR
Product Name(-)-PERILLALDEHYDE
CAS18031-40-8
Molecular FormulaC10H14O
Molecular Weight150.22
InChIInChI=1S/C10H14O/c1-8(2)10-5-3-9(7-11)4-6-10/h3,7,10H,1,4-6H2,2H3/t10-/m1/s1
InChIKey RUMOYJJNUMEFDD-SNVBAGLBSA-N
SmilesC1(C=O)CC[C@H](C(C)=C)CC=1
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MassMS-NW-7554 (S)-(-)-4-isopropenyl-1-cyclohexene-1-carbaldehyde C10H14O (Mass of molecular ion: 150)
Source Temperature: 260 °C Sample Temperature: 170 °C Reservoir, 75 eV
15.0 1.1 18.0 1.2 26.0 1.3 27.0 23.1 28.0 2.3 29.0 10.6 38.0 2.1 39.0 33.8 40.0 9.8 41.0 33.5 42.0 4.7 43.0 7.0 50.0 4.4 51.0 12.4 52.0 5.7 53.0 34.1 54.0 4.9 55.0 12.9 56.0 1.2 57.0 1.3 58.0 1.5 59.0 2.0 62.0 1.3 63.0 3.9 64.0 1.0 65.0 9.6 66.0 8.5 67.0 58.4 68.0 100.0 69.0 8.4 70.0 1.0 74.0 1.0 75.0 1.1 77.0 26.6 78.0 7.1 79.0 59.8 80.0 12.9 81.0 12.3 82.0 3.6 83.0 2.2 89.0 1.1 90.0 1.0 91.0 25.2 92.0 9.7 93.0 31.0 94.0 11.7 95.0 15.2 96.0 2.4 103.0 3.3 104.0 1.8 105.0 14.2 106.0 16.9 107.0 38.8 108.0 21.0 109.0 9.8 110.0 1.2 115.0 2.6 117.0 9.3 118.0 1.2 119.0 6.4 120.0 1.5 121.0 20.7 122.0 23.9 123.0 3.1 131.0 1.7 132.0 5.2 133.0 5.3 134.0 1.7 135.0 23.3 136.0 2.9 145.0 1.8 146.0 1.8 148.0 3.5 149.0 2.3 150.0 19.8 151.0 2.5
400 MHz in CDCl3
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1H NMR 399.65 MHz C10 H14 O 0.05 ml : 0.5 ml CDCl3 (S)-(-)-4-isopropenyl-1-cyclohexene-1-carbaldehyde 
Assign. Shift(ppm)
A 9.438 B 6.842 C *1 4.782 D *1 4.738 E 2.47 F 2.26 G *2 2.12 J 1.914 K 1.763 L *2 1.45 ASSIGNED BY H-H COSY.
Hz ppm Int.3771.97 9.439 608 2738.65 6.853 90 2737.43 6.850 149 2736.33 6.847 158 2734.62 6.843 141 2732.42 6.838 148 2731.45 6.835 144 2730.10 6.832 94 2729.00 6.829 82 1914.43 4.791 82 1912.96 4.787 236 1911.25 4.783 359 1909.79 4.779 290 1908.33 4.776 113 1894.65 4.741 300 1893.80 4.739 332 1893.07 4.737 299 1003.30 2.511 52 1000.61 2.504 50 991.33 2.481 90 990.48 2.479 94 988.77 2.475 131 987.67 2.472 119 985.84 2.467 122 984.50 2.464 113 983.03 2.460 85 982.30 2.458 84 981.32 2.456 84 980.22 2.453 59 972.53 2.434 53 970.70 2.429 78 969.60 2.427 76 968.87 2.425 74 967.65 2.422 90 966.43 2.419 84 964.36 2.414 79 962.52 2.409 49 911.38 2.281 75 908.81 2.275 103 907.23 2.271 89 906.01 2.268 105 904.91 2.265 88 902.47 2.259 134 901.12 2.255 115 899.90 2.252 112 896.00 2.242 63 892.21 2.233 209 861.69 2.157 57 859.38 2.151 61 855.96 2.142 57 853.88 2.137 57 850.46 2.129 51 848.39 2.123 69 846.56 2.119 65 844.36 2.113 57 841.55 2.106 50 830.81 2.079 50 774.78 1.939 57 772.46 1.933 77 769.65 1.926 70 769.29 1.925 71 767.94 1.922 53 766.85 1.919 68 766.24 1.918 67 763.67 1.911 57 761.35 1.906 71 758.54 1.899 76 755.74 1.892 73 753.42 1.886 61 706.30 1.768 780 704.83 1.764 1000 703.98 1.762 975 599.85 1.501 57 594.48 1.488 66 588.75 1.474 92 586.79 1.469 68 583.37 1.460 90 581.54 1.456 66 577.51 1.446 58 575.56 1.441 79 572.14 1.432 58 570.31 1.428 64
in CDCl3
liquid film
