ACETIC ACID 9-DECEN-1-YL ESTER(50816-18-7) 1H NMR
Product NameACETIC ACID 9-DECEN-1-YL ESTER
CAS50816-18-7
Molecular FormulaC12H22O2
Molecular Weight198.3
InChIInChI=1S/C12H22O2/c1-3-4-5-6-7-8-9-10-11-14-12(2)13/h3H,1,4-11H2,2H3
InChIKey PIQXMYAEJSMANF-UHFFFAOYSA-N
SmilesC(OC(=O)C)CCCCCCCC=C
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MassMS-NW-9463 9-decenyl acetate C12H22O2 (Mass of molecular ion: 198)
Source Temperature: 260 °C Sample Temperature: 160 °C Reservoir, 75 eV
15.0 2.4 18.0 2.9 27.0 7.5 28.0 3.4 29.0 13.7 31.0 1.2 39.0 12.2 40.0 2.1 41.0 51.3 42.0 10.3 43.0 100.0 44.0 4.5 53.0 6.2 54.0 85.5 55.0 98.2 56.0 14.9 57.0 5.3 58.0 2.4 61.0 17.9 65.0 1.3 66.0 10.0 67.0 92.7 68.0 91.4 69.0 30.7 70.0 4.9 71.0 3.9 72.0 2.7 73.0 5.2 79.0 4.6 80.0 3.4 81.0 68.5 82.0 64.8 83.0 17.7 84.0 2.9 85.0 1.2 86.0 1.0 93.0 1.6 94.0 1.9 95.0 37.2 96.0 43.3 97.0 12.3 98.0 2.1 109.0 21.0 110.0 16.0 111.0 2.1 123.0 1.7 138.0 5.3 139.0 1.1
400 MHz in CDCl3
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1H NMR 399.65 MHz C12 H22 O2 0.05 ml : 0.5 ml CDCl3 9-decenyl acetate 
Assign. Shift(ppm)
A 5.799 B 4.988 C 4.924 D 4.049 E 2.04 F 2.037 G 1.62 J 1.38 K 1.31
Hz ppm Int.2331.91 5.835 43 2321.78 5.810 63 2314.82 5.793 65 2304.69 5.767 50 2004.27 5.016 34 2002.69 5.012 73 2002.08 5.010 60 2001.10 5.008 53 2000.49 5.006 87 1998.90 5.002 41 1987.06 4.973 30 1985.60 4.969 64 1984.99 4.967 55 1984.01 4.965 47 1983.40 4.963 80 1981.81 4.959 38 1975.34 4.943 39 1974.12 4.940 76 1973.02 4.937 64 1972.05 4.935 69 1970.83 4.932 37 1965.21 4.918 37 1963.99 4.915 73 1962.77 4.912 60 1961.79 4.909 67 1960.57 4.906 35 1625.49 4.068 149 1618.77 4.051 307 1611.94 4.034 164 825.32 2.066 37 818.36 2.048 102 817.26 2.045 104 814.33 2.038 1000 810.79 2.029 137 805.54 2.016 39 804.08 2.012 52 802.86 2.009 39 653.32 1.635 52 650.02 1.627 36 646.12 1.617 79 639.04 1.599 68 556.88 1.394 40 550.29 1.377 64 543.70 1.361 77 521.85 1.306 249 519.17 1.300 238
in CDCl3
liquid film
