GERANYL ISOVALERATE(109-20-6) 13C NMR
Product NameGERANYL ISOVALERATE
CAS109-20-6
Molecular FormulaC15H26O2
Molecular Weight238.37
InChIInChI=1S/C15H26O2/c1-12(2)7-6-8-14(5)9-10-17-15(16)11-13(3)4/h7,9,13H,6,8,10-11H2,1-5H3/b14-9+
InChIKey SOUKTGNMIRUIQN-NTEUORMPSA-N
SmilesC(OC/C=C(\C)/CC/C=C(\C)/C)(=O)CC(C)C
400 MHz in CDCl3
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1H NMR 399.65 MHz C15 H26 O2 0.04 ml : 0.5 ml CDCl3 geranyl isovalerate 
Assign. Shift(ppm)
A 5.347 B 5.086 C 4.593 D 2.171 E 2.13 to 2.08 F 2.05 G 1.705 J 1.678 K 1.600 L 0.954 ASSIGNED BY H-H COSY.
Hz ppm Int.2139.04 5.353 30 2137.70 5.349 53 2136.47 5.346 54 2135.13 5.343 31 2038.45 5.101 33 2034.06 5.090 41 2032.84 5.087 58 2031.74 5.084 63 2030.27 5.081 46 2024.90 5.067 32 1839.36 4.603 138 1838.75 4.601 137 1832.15 4.585 133 1831.67 4.584 133 876.95 2.195 117 875.98 2.192 166 872.92 2.185 74 871.83 2.182 104 869.38 2.176 282 865.23 2.165 173 854.13 2.138 45 851.56 2.131 36 847.78 2.122 70 845.46 2.116 69 844.12 2.113 49 843.38 2.111 51 841.43 2.106 87 839.84 2.102 70 838.75 2.099 80 837.28 2.096 83 834.72 2.089 74 833.50 2.086 65 832.15 2.083 60 830.81 2.079 66 828.13 2.073 33 826.90 2.070 35 823.12 2.060 97 817.87 2.047 54 815.80 2.042 56 682.01 1.707 363 681.40 1.705 346 680.66 1.704 340 671.39 1.680 461 670.41 1.678 449 639.65 1.601 482 388.43 0.972 66 384.40 0.962 1000 377.81 0.946 937
in CDCl3
CCl4 solution
liquid film
4880 A,200 M,liquid
