1-Aminopyrene(1606-67-3) IR1
Product Name1-Aminopyrene
CAS1606-67-3
Molecular FormulaC16H11N
Molecular Weight217.27
InChIInChI=1S/C16H11N/c17-14-9-7-12-5-4-10-2-1-3-11-6-8-13(14)16(12)15(10)11/h1-9H,17H2
InChIKey YZVWKHVRBDQPMQ-UHFFFAOYSA-N
SmilesC1(N)=C2C3=C4C(C=C2)=CC=CC4=CC=C3C=C1
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MassMS-IW-7287 1-pyrenamine C16H11N (Mass of molecular ion: 217)
Source Temperature: 160 °C Sample Temperature: 140 °C Direct, 75 eV
81.0 1.1 81.5 2.0 93.0 1.1 93.5 6.8 94.0 7.0 94.5 15.3 95.0 5.1 95.5 1.0 100.0 1.0 107.5 4.0 108.0 1.2 108.5 18.4 109.0 3.4 163.0 1.3 165.0 1.6 187.0 4.4 188.0 4.0 189.0 20.7 190.0 5.8 200.0 1.5 202.0 1.2 214.0 4.0 215.0 2.6 216.0 16.4 217.0 100.0 218.0 17.6 219.0 1.4 223.0 1.1
400 MHz in CDCl3
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1H NMR 399.65 MHz C16 H11 N 0.038 g : 0.5 ml CDCl3 1-pyrenamine 
Assign. Shift(ppm)
A 8.01 B 7.98 C 7.908 D 7.893 E 7.875 F 7.860 G 7.828 J 7.771 K 7.258 L 4.27 ASSIGNED BY C-H COSY
Hz ppm Int.3205.32 8.021 293 3204.47 8.019 312 3196.66 7.999 627 3188.72 7.979 424 3177.86 7.952 30 3177.00 7.950 31 3176.64 7.949 32 3176.15 7.948 32 3175.54 7.946 32 3174.93 7.945 31 3173.95 7.942 34 3172.24 7.938 44 3171.75 7.937 43 3170.90 7.935 45 3164.79 7.919 604 3160.28 7.908 463 3156.62 7.899 678 3154.42 7.893 688 3151.00 7.885 790 3146.85 7.875 1000 3143.07 7.865 82 3139.28 7.856 423 3137.08 7.850 756 3134.64 7.844 96 3131.71 7.837 892 3127.69 7.827 41 3127.08 7.825 41 3126.83 7.824 41 3122.44 7.813 479 3119.51 7.806 33 3109.13 7.780 643 3104.49 7.769 34 3100.22 7.758 402 2908.45 7.278 35 2904.54 7.268 857 2900.15 7.257 38 2896.48 7.248 819 1706.54 4.271 66
in CDCl3
KBr disc
nujol mull
