9-Anthrracenecarbonitrile(1210-12-4) 1H NMR
Product Name9-Anthrracenecarbonitrile
CAS1210-12-4
Molecular FormulaC15H9N
Molecular Weight203.24
InChIInChI=1S/C15H9N/c16-10-15-13-7-3-1-5-11(13)9-12-6-2-4-8-14(12)15/h1-9H
InChIKey KEQZHLAEKAVZLY-UHFFFAOYSA-N
SmilesC1=C2C(C=C3C(=C2C#N)C=CC=C3)=CC=C1
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MassMS-NW-6200 9-anthracenecarbonitrile C15H9N (Mass of molecular ion: 203)
Source Temperature: 270 °C Sample Temperature: 190 °C Reservoir, 75 eV
14.0 1.7 18.0 4.2 28.0 3.5 50.0 1.1 51.0 1.0 62.0 1.1 63.0 1.6 74.0 2.2 75.0 4.5 76.0 1.1 87.0 4.2 87.5 2.4 88.0 9.5 88.5 2.3 98.0 1.1 99.0 1.2 101.0 2.1 101.5 7.5 102.0 1.6 149.0 1.4 150.0 3.1 151.0 1.8 152.0 1.2 174.0 3.0 175.0 5.8 176.0 6.9 177.0 3.9 201.0 7.1 202.0 7.2 203.0 100.0 204.0 16.8 205.0 1.7
90 MHz in CDCl3
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1H NMR 89.56 MHz C15 H9 N 0.041 g : 0.5 ml CDCl3 9-anthracenecarbonitrile 
Assign. Shift(ppm)
A 8.55 B 8.328 C 7.980 D 7.66 E 7.51
Hz ppm Int.765.31 8.546 564 752.31 8.401 236 751.44 8.391 411 750.06 8.375 518 749.19 8.366 417 744.63 8.315 246 743.06 8.297 389 742.06 8.286 502 741.63 8.281 593 740.69 8.271 341 721.19 8.053 241 720.56 8.046 340 719.56 8.035 366 719.06 8.029 288 718.06 8.018 259 717.44 8.011 232 712.94 7.961 579 712.56 7.957 614 711.31 7.943 439 710.81 7.937 546 710.06 7.929 386 693.81 7.747 263 692.19 7.729 369 687.19 7.673 792 685.56 7.655 606 683.75 7.635 252 682.63 7.623 72 682.13 7.617 71 680.63 7.600 666 679.50 7.588 1000 678.56 7.577 931 677.13 7.561 607 675.06 7.538 75 674.00 7.526 256 672.56 7.510 415 671.13 7.494 459 665.81 7.435 192 664.44 7.419 158
in CDCl3
KBr disc
nujol mull
