Formic acid isopropyl ester(625-55-8) 13C NMR
Product NameFormic acid isopropyl ester
CAS625-55-8
Molecular FormulaC4H8O2
Molecular Weight88.11
InChIInChI=1S/C4H8O2/c1-4(2)6-3-5/h3-4H,1-2H3
InChIKey RMOUBSOVHSONPZ-UHFFFAOYSA-N
SmilesC(OC(C)C)=O
-
MassMS-NW-4347 isopropyl formate C4H8O2 (Mass of molecular ion: 88)
Source Temperature: 220 °C Sample Temperature: 170 °C Reservoir, 75 eV
15.0 3.7 18.0 1.1 19.0 3.2 26.0 1.9 27.0 19.8 28.0 5.2 29.0 10.8 31.0 4.6 32.0 1.0 37.0 1.1 38.0 2.5 39.0 11.1 40.0 2.8 41.0 29.8 42.0 36.3 43.0 30.1 44.0 1.4 45.0 100.0 46.0 2.4 47.0 5.8 59.0 5.5 73.0 16.6
400 MHz in CDCl3
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1H NMR 399.65 MHz C4 H8 O2 0.05 ml : 0.5 ml CDCl3 isopropyl formate 
Assign. Shift(ppm)
A 8.016 B 5.136 C 1.284
Hz ppm Int.3204.10 8.018 292 3203.61 8.017 298 2065.55 5.169 45 2064.58 5.166 44 2059.33 5.153 109 2058.35 5.151 103 2052.98 5.137 140 2052.00 5.135 135 2046.75 5.122 109 2045.78 5.119 104 2040.53 5.106 46 2039.43 5.104 44 516.48 1.293 1000 510.13 1.277 930 509.40 1.275 833 500.12 1.252 25
in CDCl3
liquid film
4880 A,200 M,liquid
