Product NameALPHA-METHYLPHENYLACETONITRILE
CAS1823-91-2
Molecular FormulaC9H9N
Molecular Weight131.17
InChIInChI=1S/C9H9N/c1-8(7-10)9-5-3-2-4-6-9/h2-6,8H,1H3
InChIKey NVAOLENBKNECGF-UHFFFAOYSA-N
SmilesC1(C=CC=CC=1)C(C)C#N
Mass
MS-NW-4643 2-phenylpropionitrile C9H9N (Mass of molecular ion: 131)
Source Temperature: 250 °C Sample Temperature: 180 °C Reservoir, 75 eV
27.0 2.2 38.0 1.4 39.0 5.5 43.0 1.6 50.0 4.5 51.0 10.3 52.0 2.4 62.0 1.7 63.0 4.7 64.0 1.7 65.0 2.0 74.0 1.5 75.0 1.5 76.0 1.8 77.0 9.5 78.0 4.9 79.0 1.2 88.0 1.2 89.0 10.6 90.0 3.2 91.0 1.5 102.0 1.5 103.0 6.9 104.0 7.6 105.0 2.9 116.0 100.0 117.0 9.4 130.0 4.3 131.0 34.5 132.0 3.7
90 MHz in CDCl3
1H NMR | 89.56 MHz |
C9 H9 N | 0.04 ml : 0.5 ml CDCl3 |
2-phenylpropionitrile |
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Assign. Shift(ppm) |
Hz ppm Int.
660.06 7.371 48 658.63 7.355 154 657.13 7.338 1000 654.38 7.307 85 653.63 7.299 64 647.94 7.235 26 357.75 3.995 31 350.44 3.913 94 343.13 3.832 101 335.94 3.752 38 147.38 1.646 720 145.25 1.622 28 140.13 1.565 648 138.00 1.541 26
in CDCl3
liquid film
ALPHA-METHYLPHENYLACETONITRILE(1823-91-2) 13C NMR Atlas of Related Products