Product NameEthyl isonicotinate
CAS1570-45-2
Molecular FormulaC8H9NO2
Molecular Weight151.16
InChIInChI=1S/C8H9NO2/c1-2-11-8(10)7-3-5-9-6-4-7/h3-6H,2H2,1H3
InChIKey MCRPKBUFXAKDKI-UHFFFAOYSA-N
SmilesC1=NC=CC(C(OCC)=O)=C1
Mass
MS-NW-4815 ethyl isonicotinate C8H9NO2 (Mass of molecular ion: 151)
Source Temperature: 260 °C Sample Temperature: 180 °C Reservoir, 75 eV
15.0 1.6 18.0 1.8 26.0 2.7 27.0 8.2 28.0 2.6 29.0 21.8 38.0 1.0 39.0 1.8 45.0 11.6 49.0 1.4 50.0 12.7 51.0 41.6 52.0 7.9 53.0 1.1 76.0 1.2 77.0 2.3 78.0 61.6 79.0 14.3 80.0 1.2 105.0 3.5 106.0 100.0 107.0 9.7 108.0 1.0 123.0 59.5 124.0 5.4 133.0 4.0 136.0 1.0 137.0 4.4 150.0 1.6 151.0 36.7 152.0 3.7
90 MHz in CDCl3
1H NMR | 89.56 MHz |
C8 H9 N O2 | 0.04 ml : 0.5 ml CDCl3 |
ethyl isonicotinate |
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Assign. Shift(ppm) |
Hz ppm Int.
789.00 8.810 396 787.38 8.792 209 784.63 8.761 231 783.00 8.743 454 705.81 7.881 560 704.19 7.863 294 702.63 7.846 29 701.44 7.833 248 699.81 7.814 497 406.69 4.541 124 399.50 4.461 467 392.38 4.382 489 385.31 4.303 146 133.69 1.493 482 126.69 1.415 1000 124.44 1.390 31 119.44 1.334 427
in CDCl3
CCl4 solution
liquid film
Ethyl isonicotinate (1570-45-2) IR1 Atlas of Related Products
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