ACETIC ACID 8-NONEN-1-YL ESTER(13038-22-7) MS
Product NameACETIC ACID 8-NONEN-1-YL ESTER
CAS13038-22-7
Molecular FormulaC11H20O2
Molecular Weight184.28
InChIInChI=1S/C11H20O2/c1-3-4-5-6-7-8-9-10-13-11(2)12/h3H,1,4-10H2,2H3
InChIKey HUXQMCFHKGATCP-UHFFFAOYSA-N
SmilesC(OC(=O)C)CCCCCCC=C
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MassMS-IW-9322 8-nonenyl acetate C11H20O2 (Mass of molecular ion: 184)
Source Temperature: 210 °C Sample Temperature: 150 °C Reservoir, 75 eV
15.0 2.9 27.0 7.5 28.0 3.0 29.0 10.6 31.0 1.2 39.0 10.6 40.0 1.9 41.0 38.3 42.0 8.3 43.0 100.0 44.0 2.8 53.0 4.8 54.0 58.2 55.0 50.9 56.0 4.9 57.0 3.3 58.0 1.3 61.0 8.7 66.0 4.4 67.0 46.5 68.0 44.8 69.0 14.0 70.0 2.9 71.0 2.0 72.0 1.8 73.0 3.0 79.0 2.5 80.0 2.0 81.0 32.5 82.0 42.3 83.0 12.3 84.0 1.2 94.0 1.4 95.0 24.4 96.0 17.0 97.0 2.0 109.0 3.4 123.0 1.0 124.0 8.9 125.0 1.2
400 MHz in CDCl3
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1H NMR 399.65 MHz C11 H20 O2 0.05 ml : 0.5 ml CDCl3 8-nonenyl acetate 
Assign. Shift(ppm)
A 5.802 B 4.992 C 4.931 D 4.052 E 2.042 F 2.04 G 1.619 J 1.38 K 1.32
Hz ppm Int.2333.13 5.838 50 2322.88 5.813 74 2316.04 5.796 74 2309.33 5.779 30 2305.79 5.770 58 2006.10 5.020 42 2004.52 5.016 86 2003.91 5.015 61 2002.93 5.012 59 2002.32 5.011 94 2000.73 5.007 44 1989.01 4.977 38 1987.43 4.973 77 1986.82 4.972 56 1985.84 4.969 54 1985.23 4.968 86 1983.64 4.964 42 1977.91 4.950 48 1976.68 4.947 89 1975.59 4.944 69 1974.49 4.941 76 1973.27 4.938 39 1967.65 4.924 43 1966.43 4.921 82 1965.45 4.918 64 1964.36 4.916 71 1963.13 4.913 36 1626.34 4.070 171 1619.51 4.053 332 1612.79 4.036 178 826.78 2.069 46 825.44 2.066 39 819.95 2.052 136 816.28 2.043 1000 813.48 2.036 108 812.50 2.034 115 807.01 2.020 37 805.54 2.016 50 804.20 2.013 33 654.66 1.639 53 652.47 1.633 41 647.22 1.620 75 643.80 1.611 36 640.26 1.603 64 560.30 1.402 47 557.86 1.396 39 553.10 1.384 72 549.80 1.376 55 546.02 1.367 80 539.79 1.351 89 538.45 1.348 93 529.17 1.325 292 516.48 1.293 35 516.11 1.292 35
in CDCl3
liquid film
