(-)-MYRTENOL(515-00-4) Raman
Product Name(-)-MYRTENOL
CAS515-00-4
Molecular FormulaC10H16O
Molecular Weight152.23
InChIInChI=1S/C10H16O/c1-10(2)8-4-3-7(6-11)9(10)5-8/h3,8-9,11H,4-6H2,1-2H3
InChIKey RXBQNMWIQKOSCS-UHFFFAOYSA-N
SmilesC12CC(C1(C)C)CC=C2CO
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MassMS-NW-5460 (-)-myrtenol C10H16O (Mass of molecular ion: 152)
Source Temperature: 250 °C Sample Temperature: 190 °C Reservoir, 75 eV
18.0 2.4 27.0 10.5 28.0 3.0 29.0 6.6 31.0 6.7 39.0 14.3 40.0 2.3 41.0 24.9 42.0 2.2 43.0 15.8 50.0 1.7 51.0 5.1 52.0 2.4 53.0 8.1 54.0 1.7 55.0 10.8 56.0 2.2 57.0 1.7 59.0 2.5 63.0 1.7 65.0 5.6 66.0 3.0 67.0 13.4 68.0 3.9 69.0 6.1 70.0 1.9 77.0 14.9 78.0 5.2 79.0 100.0 80.0 8.6 81.0 8.7 82.0 3.6 83.0 3.0 85.0 2.9 91.0 42.2 92.0 11.0 93.0 18.4 94.0 3.0 95.0 4.6 96.0 3.4 98.0 1.1 103.0 1.7 104.0 1.1 105.0 7.7 106.0 3.5 107.0 7.0 108.0 27.6 109.0 8.6 110.0 1.4 117.0 2.2 119.0 15.6 120.0 2.0 121.0 10.2 122.0 1.3 123.0 2.3 134.0 3.1 137.0 1.2 152.0 2.9
400 MHz in CDCl3
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1H NMR 399.65 MHz C10 H16 O 0.05 ml : 0.5 ml CDCl3 (-)-myrtenol 
Assign. Shift(ppm)
A 5.465 B 3.965 C 2.400 D *1 2.29 E 2.29 F *1 2.24 G 2.13 J 2.11 K 1.291 L 1.179 M 0.837 J(C,L)=-8.5HZ
Hz ppm Int.2188.60 5.477 52 2187.13 5.473 91 2185.67 5.469 130 2184.08 5.465 150 2182.62 5.462 134 2181.15 5.458 95 2179.69 5.454 53 1586.91 3.971 165 1585.21 3.967 364 1583.50 3.963 378 1581.79 3.958 181 969.60 2.427 70 963.99 2.413 141 960.94 2.405 80 958.25 2.398 90 955.32 2.391 145 949.71 2.377 86 933.23 2.336 38 931.76 2.332 31 931.40 2.331 31 915.04 2.290 187 913.70 2.287 192 905.52 2.266 55 903.44 2.261 94 900.88 2.255 123 898.44 2.249 90 896.36 2.243 41 883.18 2.210 37 858.28 2.148 44 856.81 2.144 46 852.54 2.134 145 851.20 2.130 151 847.05 2.120 164 845.70 2.117 166 842.90 2.110 82 841.43 2.106 87 840.09 2.103 84 838.87 2.100 58 837.40 2.096 51 835.82 2.092 30 516.11 1.292 943 475.59 1.191 243 467.04 1.169 234 339.48 0.850 73 334.47 0.837 1000 329.10 0.824 32
in CDCl3
liquid film
4880 A,200 M,liquid
