Pyrene(129-00-0) ESR
Molecular FormulaC16H10
Molecular Weight202.25
InChIInChI=1S/C16H10/c1-3-11-7-9-13-5-2-6-14-10-8-12(4-1)15(11)16(13)14/h1-10H
InChIKey BBEAQIROQSPTKN-UHFFFAOYSA-N
SmilesC1=C2C3=C4C(C=C2)=CC=CC4=CC=C3C=C1
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Assign. Shift(ppm)
A 8.161 B 8.054 C 7.987 J(A,C)=7.6HZ.Spectral Code: 1H NMR : 400 MHz in CDCl3
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ppm Int. Assign.
131.04 550 5 127.25 980 4 125.70 500 3 124.81 1000 2 124.58 165 1Spectral Code: 13C NMR : in CDCl3
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Spectral Code: IR : KBr disc
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Spectral Code: ESR : ANION RADICAL, REDUCTION WITH LI
