N-PROPYL DECANOATE(30673-60-0) MS
Product NameN-PROPYL DECANOATE
CAS30673-60-0
Molecular FormulaC13H26O2
Molecular Weight214.34
InChIInChI=1S/C13H26O2/c1-3-5-6-7-8-9-10-11-13(14)15-12-4-2/h3-12H2,1-2H3
InChIKey OVFMRFMJVFDSAA-UHFFFAOYSA-N
SmilesC(OCCC)(=O)CCCCCCCCC
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MassMS2015-05289CW propyl decanoate C13H26O2 (Mass of molecular ion: 214)
Source Temperature: 250 °C Sample Temperature: 250 °C Reservoir, 70 eV
27.0 7.5 29.0 8.9 31.0 1.0 39.0 7.4 40.0 2.2 41.0 32.4 42.0 15.7 43.0 47.1 44.0 1.6 45.0 1.3 53.0 1.6 54.0 1.8 55.0 18.3 56.0 5.5 57.0 20.8 58.0 1.1 59.0 4.3 60.0 43.0 61.0 82.0 62.0 2.0 67.0 3.8 68.0 3.0 69.0 16.2 70.0 3.5 71.0 20.4 72.0 1.2 73.0 35.3 74.0 4.4 75.0 1.4 79.0 1.0 81.0 6.3 82.0 1.8 83.0 8.1 84.0 6.7 85.0 11.2 87.0 13.0 89.0 5.2 95.0 6.6 96.0 1.0 97.0 6.3 98.0 5.7 101.0 4.7 102.0 37.1 103.0 9.9 110.0 2.7 111.0 3.4 112.0 1.7 115.0 25.7 116.0 2.3 117.0 1.8 125.0 1.2 129.0 23.1 130.0 2.0 135.0 2.5 137.0 1.6 143.0 5.3 153.0 3.5 155.0 86.9 156.0 9.5 157.0 3.2 171.0 12.0 172.0 10.8 173.0 100.0 174.0 11.0 175.0 1.0 185.0 1.7 214.0 4.4 215.0 1.3
90 MHz in CDCl3
in CDCl3
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1H NMR 89.56 MHz C13 H26 O2 0.04 ml : 0.5 ml CDCl3 propyl decanoate 
Assign. Shift(ppm)
A 4.025 B 2.29 C 1.44 to 1.87 D 1.27 E 0.94 F 0.87
Hz ppm Int.367.25 4.101 232 360.63 4.027 498 353.94 3.952 257 205.81 2.299 179 198.19 2.213 157 157.94 1.764 97 151.56 1.693 155 151.00 1.687 157 144.88 1.618 139 144.00 1.608 216 137.19 1.532 141 113.38 1.266 1000 91.19 1.019 294 90.56 1.012 216 84.25 0.941 677 83.56 0.934 416 78.63 0.878 327 77.38 0.865 197 76.50 0.855 254 75.50 0.844 170 72.75 0.813 82
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in CDCl3
CCl4 solution
liquid film
4880 A,200 M,liquid
