N-DECYL ACETATE(112-17-4) MS
Product NameN-DECYL ACETATE
CAS112-17-4
Molecular FormulaC12H24O2
Molecular Weight200.32
InChIInChI=1S/C12H24O2/c1-3-4-5-6-7-8-9-10-11-14-12(2)13/h3-11H2,1-2H3
InChIKey NUPSHWCALHZGOV-UHFFFAOYSA-N
SmilesC(OCCCCCCCCCC)(=O)C
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MassMS-IW-8365 decyl acetate C12H24O2 (Mass of molecular ion: 200)
Source Temperature: 210 °C Sample Temperature: 150 °C Reservoir, 75 eV
14.0 1.1 15.0 2.1 18.0 1.6 27.0 7.4 28.0 1.9 29.0 14.8 39.0 6.7 40.0 1.4 41.0 38.4 42.0 22.3 43.0 100.0 44.0 3.2 45.0 1.6 53.0 2.6 54.0 6.3 55.0 65.9 56.0 67.2 57.0 33.8 58.0 4.2 59.0 1.0 60.0 1.4 61.0 41.7 67.0 7.2 68.0 15.7 69.0 56.6 70.0 68.2 71.0 14.1 73.0 7.0 81.0 2.7 82.0 18.2 83.0 47.9 84.0 35.1 85.0 8.4 87.0 1.2 96.0 5.9 97.0 31.8 98.0 21.4 99.0 2.0 101.0 1.8 110.0 2.5 111.0 18.6 112.0 24.2 113.0 2.3 116.0 5.6 140.0 15.0 141.0 2.3
400 MHz in CDCl3
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1H NMR 399.65 MHz C12 H24 O2 0.05 ml : 0.5 ml CDCl3 decyl acetate 
Assign. Shift(ppm)
A 4.052 B 2.040 C 1.615 D 1.31 E 1.27 F 0.881
Hz ppm Int.1626.46 4.070 137 1619.75 4.053 284 1612.92 4.036 149 815.31 2.041 1000 654.05 1.637 47 646.73 1.619 70 643.19 1.610 26 639.65 1.601 62 632.81 1.584 22 507.08 1.269 435 359.38 0.900 103 352.54 0.883 336 345.58 0.865 132
in CDCl3
liquid film
