FORMIC ACID 2-METHYLPENTYL ESTER(381670-34-4) IR1
Product NameFORMIC ACID 2-METHYLPENTYL ESTER
CAS381670-34-4
Molecular FormulaC7H14O2
Molecular Weight130.18
InChIInChI=1S/C7H14O2/c1-3-4-7(2)5-9-6-8/h6-7H,3-5H2,1-2H3
InChIKey KYHHSTLLLQRFHJ-UHFFFAOYSA-N
SmilesC(OC=O)C(C)CCC
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MassMS-NW-2214 2-methylpentyl formate C7H14O2 (Mass of molecular ion: 130)
Source Temperature: 260 °C Sample Temperature: 170 °C Reservoir, 75 eV
15.0 1.1 18.0 2.2 27.0 14.6 28.0 1.8 29.0 17.4 31.0 14.2 39.0 10.9 40.0 1.9 41.0 37.8 42.0 20.4 43.0 100.0 44.0 3.3 45.0 2.3 47.0 1.0 53.0 2.3 54.0 1.2 55.0 26.6 56.0 57.3 57.0 4.1 58.0 1.7 59.0 4.2 60.0 4.3 67.0 1.1 69.0 27.8 70.0 11.0 71.0 42.5 72.0 2.3 84.0 20.0 85.0 1.8 87.0 1.2
90 MHz in CDCl3
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1H NMR 89.56 MHz C7 H14 O2 0.04 ml : 0.5 ml CDCl3 2-methylpentyl formate 
Assign. Shift(ppm)
A 8.030 B *1 4.055 C *1 3.959 D 1.80 E 1.30 F 0.94 G 0.90
Hz ppm Int.724.81 8.094 132 723.94 8.084 297 723.50 8.079 302 722.63 8.069 155 363.94 4.064 152 363.06 4.054 157 361.13 4.033 165 360.25 4.023 161 357.94 3.997 164 357.06 3.987 166 354.69 3.961 167 353.88 3.952 164 125.88 1.406 95 120.44 1.345 146 119.13 1.331 154 118.63 1.325 149 116.75 1.304 92 115.31 1.288 157 113.75 1.271 138 113.19 1.264 127 112.06 1.252 114 87.63 0.979 1000 85.25 0.952 192 83.69 0.935 140 82.81 0.925 116 81.06 0.906 966 78.88 0.881 172 75.25 0.841 113 74.00 0.827 102
in CDCl3
CCl4 solution
liquid film
4880 A,200 M,liquid
