Product Name3-Cyanobenzaldehyde
CAS24964-64-5
Molecular FormulaC8H5NO
Molecular Weight131.13
InChIInChI=1S/C8H5NO/c9-5-7-2-1-3-8(4-7)6-10/h1-4,6H
InChIKey HGZJJKZPPMFIBU-UHFFFAOYSA-N
SmilesC(#N)C1=CC=CC(C=O)=C1
Mass
MS-NW-7190 m-formylbenzonitrile C8H5NO (Mass of molecular ion: 131)
Source Temperature: 220 °C Sample Temperature: 180 °C Reservoir, 75 eV
27.0 1.9 28.0 3.4 29.0 3.4 37.0 2.8 38.0 2.5 39.0 3.5 49.0 2.3 50.0 13.3 51.0 10.7 52.0 3.7 61.0 1.7 62.0 1.7 63.0 2.3 64.0 1.2 73.0 1.9 74.0 5.2 75.0 16.1 76.0 21.9 77.0 3.4 99.0 2.0 100.0 1.2 101.0 1.3 102.0 53.0 103.0 11.7 104.0 1.0 130.0 100.0 131.0 66.3 132.0 6.4
90 MHz in CDCl3
1H NMR | 89.56 MHz |
C8 H5 N O | 0.041 g : 0.5 ml CDCl3 |
m-formylbenzonitrile |
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Assign. Shift(ppm) |
Hz ppm Int.
901.90 10.071 1000 734.03 8.196 722 732.42 8.178 959 730.81 8.161 293 727.44 8.123 259 725.83 8.105 410 724.22 8.087 188 716.46 8.000 134 714.92 7.983 219 713.82 7.971 90 713.23 7.964 131 708.76 7.914 322 707.15 7.896 464 705.54 7.878 215 698.58 7.801 342 697.05 7.784 128 690.45 7.710 324 683.94 7.637 67 682.69 7.623 117
in CDCl3
KBr disc
nujol mull
3-Cyanobenzaldehyde(24964-64-5) 13C NMR Atlas of Related Products