ISOPROPYL PROPIONATE(637-78-5) 13C NMR
Product NameISOPROPYL PROPIONATE
CAS637-78-5
Molecular FormulaC6H12O2
Molecular Weight116.16
InChIInChI=1S/C6H12O2/c1-4-6(7)8-5(2)3/h5H,4H2,1-3H3
InChIKey IJMWOMHMDSDKGK-UHFFFAOYSA-N
SmilesC(OC(C)C)(=O)CC
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MassMS-NW-0764 isopropyl propionate C6H12O2 (Mass of molecular ion: 116)
Source Temperature: 220 °C Sample Temperature: 150 °C Reservoir, 75 eV
15.0 1.7 26.0 1.5 27.0 10.7 28.0 2.8 29.0 21.8 31.0 1.0 39.0 3.8 41.0 12.1 42.0 4.5 43.0 46.2 44.0 1.5 45.0 4.4 57.0 100.0 58.0 3.4 59.0 11.7 73.0 1.2 74.0 5.5 75.0 34.3 76.0 1.1 101.0 11.8
90 MHz in CDCl3
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1H NMR 89.56 MHz C6 H12 O2 0.04 ml : 0.5 ml CDCl3 isopropyl propionate 
Assign. Shift(ppm)
A 4.999 B 2.275 C 1.229 D 1.123
Hz ppm Int.454.50 5.075 51 448.25 5.006 69 442.00 4.936 54 216.56 2.419 30 215.69 2.409 35 208.38 2.327 126 201.63 2.252 73 200.75 2.242 161 193.88 2.165 50 193.13 2.157 50 113.19 1.264 1000 111.00 1.240 46 108.25 1.209 165 106.94 1.195 982 104.94 1.172 50 100.94 1.128 386 100.44 1.122 232 99.44 1.111 88 93.13 1.040 168 92.56 1.034 76
in CDCl3
CCl4 solution
liquid film
4880 A,200 M,liquid
