Isoamyl propionate(105-68-0) 13C NMR
Product NameIsoamyl propionate
CAS105-68-0
Molecular FormulaC8H16O2
Molecular Weight144.21
InChIInChI=1S/C8H16O2/c1-4-8(9)10-6-5-7(2)3/h7H,4-6H2,1-3H3
InChIKey XAOGXQMKWQFZEM-UHFFFAOYSA-N
SmilesC(OC(=O)CC)CC(C)C
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MassMS-NW-5740 isopentyl propionate C8H16O2 (Mass of molecular ion: 144)
Source Temperature: 260 °C Sample Temperature: 190 °C Reservoir, 75 eV
26.0 1.4 27.0 12.9 28.0 4.5 29.0 36.1 30.0 1.0 31.0 2.1 39.0 5.5 41.0 12.3 42.0 13.4 43.0 31.3 44.0 1.3 45.0 1.8 53.0 1.1 55.0 39.6 56.0 2.8 57.0 100.0 58.0 3.8 69.0 6.5 70.0 67.7 71.0 9.5 72.0 1.0 73.0 1.2 74.0 2.0 75.0 15.5 85.0 2.4 87.0 6.0 101.0 6.7 102.0 1.4 115.0 1.2
in CDCl3
90 MHz in CDCl3
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1H NMR 89.56 MHz C8 H16 O2 0.04 ml : 0.5 ml CDCl3 isopentyl propionate 
Assign. Shift(ppm)
A 4.107 B 2.31 C 1.72 D 1.54 E 1.141 F 0.927
Hz ppm Int.374.38 4.181 192 367.69 4.106 330 361.00 4.031 178 219.31 2.449 59 218.56 2.441 55 211.25 2.359 236 203.63 2.274 273 196.63 2.196 95 195.94 2.188 82 154.00 1.720 30 152.81 1.707 37 145.25 1.622 99 143.69 1.605 74 141.00 1.575 62 138.88 1.551 195 137.31 1.534 74 133.06 1.486 84 132.19 1.476 142 126.19 1.409 43 124.88 1.395 32 109.19 1.220 337 101.94 1.139 810 101.44 1.133 441 94.13 1.052 249 93.56 1.045 130 85.69 0.957 1000 79.81 0.892 831
in CDCl3
liquid film
4880 A,200 M,liquid
