alpha-Terpinene(99-86-5) IR1
Product Namealpha-Terpinene
CAS99-86-5
Molecular FormulaC10H16
Molecular Weight136.23
InChIInChI=1S/C10H16/c1-8(2)10-6-4-9(3)5-7-10/h4,6,8H,5,7H2,1-3H3
InChIKey YHQGMYUVUMAZJR-UHFFFAOYSA-N
SmilesC1(C)CCC(C(C)C)=CC=1
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MassMS-NW-9574 1,3-p-menthadiene C10H16 (Mass of molecular ion: 136)
Source Temperature: 260 °C Sample Temperature: 150 °C Reservoir, 75 eV
27.0 5.2 29.0 4.3 39.0 7.7 40.0 1.1 41.0 11.3 43.0 14.9 50.0 1.0 51.0 4.6 52.0 2.1 53.0 4.9 55.0 5.9 57.5 1.1 58.0 1.9 59.0 1.6 60.5 1.0 63.0 1.8 65.0 5.6 66.0 1.1 67.0 4.7 68.0 4.0 69.0 2.0 71.0 1.9 77.0 24.1 78.0 4.3 79.0 22.6 80.0 6.2 81.0 4.2 91.0 31.3 92.0 11.3 93.0 90.7 94.0 9.3 95.0 1.8 103.0 2.8 104.0 1.2 105.0 16.3 106.0 4.2 107.0 11.9 108.0 4.7 109.0 1.1 111.0 1.7 115.0 1.8 117.0 2.4 119.0 17.7 120.0 2.6 121.0 100.0 122.0 10.1 134.0 4.0 135.0 1.3 136.0 53.0 137.0 6.0
400 MHz in CDCl3
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1H NMR 399.65 MHz C10 H16 0.05 ml : 0.5 ml CDCl3 1,3-p-menthadiene 
Assign. Shift(ppm)
A 5.618 B 5.585 C 2.277 D 2.09 E 1.765 F 1.022
Hz ppm Int.2250.12 5.631 51 2248.78 5.627 54 2247.31 5.624 48 2245.97 5.620 64 2244.75 5.617 95 2243.29 5.614 99 2241.94 5.610 62 2233.64 5.589 112 2228.27 5.576 59 923.71 2.312 38 917.11 2.295 44 910.28 2.278 59 903.56 2.261 46 853.88 2.137 37 844.97 2.115 106 844.36 2.113 109 839.11 2.100 240 835.82 2.092 212 830.57 2.079 94 829.83 2.077 98 820.31 2.053 35 705.32 1.765 421 412.11 1.032 1000 405.27 1.015 978
in CDCl3
liquid film
4880 A,200 M,liquid
