Propyl butyrate(105-66-8) MS
Product NamePropyl butyrate
CAS105-66-8
Molecular FormulaC7H14O2
Molecular Weight130.18
InChIInChI=1S/C7H14O2/c1-3-5-7(8)9-6-4-2/h3-6H2,1-2H3
InChIKey HUAZGNHGCJGYNP-UHFFFAOYSA-N
SmilesC(OCCC)(=O)CCC
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MassMS-NW-0770 propyl butyrate C7H14O2 (Mass of molecular ion: 130)
Source Temperature: 220 °C Sample Temperature: 150 °C Reservoir, 75 eV
15.0 1.4 26.0 1.4 27.0 21.6 28.0 3.5 29.0 9.7 31.0 3.4 39.0 11.0 40.0 2.0 41.0 36.2 42.0 19.9 43.0 100.0 44.0 3.3 45.0 1.2 55.0 8.9 56.0 18.7 57.0 15.5 59.0 5.5 60.0 13.4 61.0 8.7 69.0 4.3 70.0 10.1 71.0 93.5 72.0 3.9 73.0 8.8 83.0 4.9 84.0 3.3 85.0 4.4 88.0 4.3 89.0 59.7 90.0 2.7 91.0 3.4 92.0 2.4 98.0 2.4 100.0 3.3 101.0 5.2 102.0 4.5
90 MHz in CDCl3
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1H NMR 89.56 MHz C7 H14 O2 0.04 ml : 0.5 ml CDCl3 propyl butyrate 
Assign. Shift(ppm)
A 4.031 B 2.278 C 1.65 D 0.95
Hz ppm Int.367.81 4.107 262 361.19 4.033 549 354.56 3.959 289 212.63 2.375 107 211.69 2.364 114 204.63 2.285 244 198.00 2.211 200 197.25 2.203 202 159.94 1.786 90 159.38 1.780 110 159.00 1.776 115 158.25 1.767 115 153.44 1.714 106 152.38 1.702 238 151.88 1.696 231 151.38 1.691 221 145.38 1.624 222 144.13 1.610 322 137.50 1.536 225 92.13 1.029 477 91.38 1.021 505 85.25 0.952 740 84.44 0.943 1000 83.81 0.936 467 78.44 0.876 131 77.56 0.867 298 76.63 0.856 290 75.69 0.846 129
in CDCl3
CCl4 solution
liquid film
4880 A,200 M,liquid
