3-Ethoxypropionitrile(2141-62-0) MS
Product Name3-Ethoxypropionitrile
CAS2141-62-0
Molecular FormulaC5H9NO
Molecular Weight99.13
InChIInChI=1S/C5H9NO/c1-2-7-5-3-4-6/h2-3,5H2,1H3
InChIKey DCWQZPJHHVLHSV-UHFFFAOYSA-N
SmilesC(#N)CCOCC
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MassMS-NW-1056 3-ethoxypropionitrile C5H9NO (Mass of molecular ion: 99)
Source Temperature: 240 °C Sample Temperature: 170 °C Reservoir, 75 eV
14.0 1.5 15.0 5.0 18.0 2.3 19.0 1.0 26.0 6.2 27.0 24.1 28.0 8.7 29.0 35.4 30.0 1.0 31.0 100.0 39.0 1.2 40.0 2.5 41.0 10.7 42.0 5.6 43.0 6.5 44.0 1.6 45.0 14.0 51.0 1.4 52.0 3.9 53.0 1.5 54.0 71.4 55.0 12.9 56.0 1.1 57.0 11.9 59.0 58.8 60.0 1.9 68.0 1.2 70.0 2.4 72.0 1.4 84.0 8.9 98.0 3.0
90 MHz in CDCl3
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1H NMR 89.56 MHz C5 H9 N O 0.04 ml : 0.5 ml CDCl3 3-ethoxypropionitrile 
Assign. Shift(ppm)
A 3.642 B 3.553 C 2.604 D 1.226
Hz ppm Int.333.56 3.725 207 333.19 3.721 221 328.94 3.673 128 326.81 3.650 593 324.00 3.618 29 321.94 3.595 493 320.81 3.583 321 320.50 3.579 322 314.94 3.517 514 308.00 3.440 152 239.06 2.670 292 237.69 2.654 34 233.00 2.602 538 226.63 2.531 203 226.25 2.527 216 116.50 1.301 496 109.63 1.225 1000 106.63 1.191 29 102.56 1.146 418
in CDCl3
CCl4 solution
liquid film
