ACETIC ACID 2-NONYL ESTER(14936-66-4) MS
Product NameACETIC ACID 2-NONYL ESTER
CAS14936-66-4
Molecular FormulaC11H22O2
Molecular Weight186.29
InChIInChI=1S/C11H22O2/c1-4-5-6-7-8-9-10(2)13-11(3)12/h10H,4-9H2,1-3H3
InChIKey GSUGVJOUDSLEBL-UHFFFAOYSA-N
SmilesCC(OC(=O)C)CCCCCCC
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MassMS-IW-9323 1-methyloctyl acetate C11H22O2 (Mass of molecular ion: 186)
Source Temperature: 210 °C Sample Temperature: 150 °C Reservoir, 75 eV
15.0 1.4 27.0 4.1 28.0 1.3 29.0 7.0 39.0 3.2 41.0 13.8 42.0 8.5 43.0 100.0 44.0 2.7 45.0 3.0 53.0 1.0 54.0 1.4 55.0 18.3 56.0 17.4 57.0 7.5 58.0 7.9 59.0 3.5 61.0 3.6 67.0 1.3 68.0 1.3 69.0 10.4 70.0 11.9 71.0 5.1 82.0 2.9 83.0 6.4 84.0 9.6 85.0 2.5 87.0 29.6 88.0 1.3 96.0 1.0 97.0 7.4 98.0 3.5 102.0 3.1 111.0 1.9 126.0 10.7 127.0 1.7
400 MHz in CDCl3
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1H NMR 399.65 MHz C11 H22 O2 0.04 ml : 0.5 ml CDCl3 1-methyloctyl acetate 
Assign. Shift(ppm)
A 4.894 B 2.025 C *1 1.57 D *1 1.47 E 1.21 F 1.201 G 0.881
Hz ppm Int.1963.62 4.914 36 1958.01 4.900 53 1957.40 4.898 53 1956.42 4.896 43 1951.78 4.884 49 1950.81 4.882 52 1944.46 4.866 35 809.45 2.026 1000 509.03 1.274 330 483.40 1.210 487 477.05 1.194 482 359.01 0.899 113 352.17 0.882 319 348.51 0.873 41 345.21 0.864 123
in CDCl3
liquid film
