azidopyrene(36171-39-8) 1H NMR
Product Nameazidopyrene
CAS36171-39-8
Molecular Formula
Molecular Weight
InChIInChI=1S/C16H9N3/c17-19-18-14-9-7-12-5-4-10-2-1-3-11-6-8-13(14)16(12)15(10)11/h1-9H
InChIKey BMNGOGRNWBJJKB-UHFFFAOYSA-N
SmilesC1(N=[N+]=[N-])=C2C3=C4C(C=C2)=CC=CC4=CC=C3C=C1
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MassMS2004-02557WA 1-pyrenyl azide C16H9N3 (Mass of molecular ion: 243)
Source Temperature: 160 °C Sample Temperature: 120 °C Direct, 70 eV
28.0 11.2 62.0 1.3 63.0 2.4 68.0 1.2 72.0 1.5 74.0 2.0 75.0 1.2 80.0 1.2 80.5 1.9 81.0 3.9 81.5 2.1 86.0 2.0 87.0 3.2 88.0 1.0 93.0 7.5 93.5 37.6 94.0 30.3 94.5 8.0 95.0 1.3 98.0 1.5 99.0 1.7 100.0 3.3 100.5 1.1 106.5 2.5 107.0 5.5 107.5 34.0 108.0 6.1 108.5 3.5 110.0 1.1 111.0 1.4 161.0 1.9 162.0 1.7 163.0 3.3 164.0 1.7 185.0 1.4 186.0 3.0 187.0 12.9 188.0 11.1 189.0 10.7 190.0 2.0 200.0 1.4 201.0 1.0 212.0 6.5 213.0 5.9 214.0 82.0 215.0 100.0 216.0 19.3 217.0 17.3 218.0 2.9 243.0 22.8 244.0 4.2
400 MHz in CDCl3
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1H NMR 399.65 MHz C16H9N3 22 mg : 0.5 ml CDCl3 1-pyrenyl azide 
Assign. Shift(ppm)
A 8.193 B *1 8.113 C *1 8.106 D 8.052 E 7.99 F 7.962 G *2 7.94 J *2 7.92 K 7.698
Hz ppm Int.3280.16 8.205 516 3271.00 8.182 646 3247.44 8.124 356 3245.12 8.118 332 3237.43 8.098 470 3223.27 8.063 516 3215.09 8.043 571 3200.57 8.006 595 3191.17 7.983 857 3183.35 7.963 659 3175.79 7.944 355 3170.42 7.931 1000 3161.50 7.909 170 3081.18 7.708 731 3073.00 7.687 648
in CDCl3
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Spectral Code: ESR : PHOTOLYSIS, IN BENZENE, 77K