ISOBUTYRIC ACID 2-ETHOXYETHYL ESTER(54396-97-3) Raman
Product NameISOBUTYRIC ACID 2-ETHOXYETHYL ESTER
CAS54396-97-3
Molecular FormulaC8H16O3
Molecular Weight160.21
InChIInChI=1S/C8H16O3/c1-4-10-5-6-11-8(9)7(2)3/h7H,4-6H2,1-3H3
InChIKey ANSOCBLHUNAGRK-UHFFFAOYSA-N
SmilesC(OCCOCC)(=O)C(C)C
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MassMS-NW-4311 2-ethoxyethyl isobutyrate C8H16O3 (Mass of molecular ion: 160)
Source Temperature: 230 °C Sample Temperature: 180 °C Reservoir, 75 eV
15.0 3.3 18.0 2.0 19.0 1.2 26.0 1.5 27.0 16.9 28.0 5.3 29.0 14.8 31.0 29.9 39.0 4.3 40.0 1.0 41.0 14.6 42.0 4.3 43.0 100.0 44.0 29.4 45.0 27.1 55.0 1.5 57.0 1.0 59.0 42.2 60.0 1.6 70.0 2.5 71.0 71.4 72.0 66.7 73.0 5.2 86.0 4.6 87.0 2.5 88.0 2.0 89.0 6.7 101.0 1.0 115.0 4.8 116.0 6.6
90 MHz in CDCl3
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1H NMR 89.56 MHz C8 H16 O3 0.04 ml : 0.5 ml CDCl3 2-ethoxyethyl isobutyrate 
Assign. Shift(ppm)
A 4.216 B 3.63 C 3.54 D 2.572 E 1.191 F 1.180
Hz ppm Int.383.13 4.278 84 379.69 4.240 40 379.00 4.232 74 378.38 4.225 110 376.75 4.207 66 376.00 4.199 44 373.25 4.168 139 329.69 3.682 144 327.00 3.652 80 326.19 3.643 76 324.75 3.627 115 324.63 3.625 115 323.94 3.618 83 323.19 3.609 50 320.19 3.576 300 313.19 3.497 232 306.38 3.421 68 238.88 2.668 39 232.13 2.592 49 225.00 2.513 50 115.25 1.287 222 108.50 1.212 1000 101.69 1.136 724
in CDCl3
liquid film
4880 A,200 M,liquid
