1,3-DIIODOBENZENE(626-00-6) 1H NMR
Product Name1,3-DIIODOBENZENE
CAS626-00-6
Molecular FormulaC6H4I2
Molecular Weight329.9
InChIInChI=1S/C6H4I2/c7-5-2-1-3-6(8)4-5/h1-4H
InChIKey SFPQFQUXAJOWNF-UHFFFAOYSA-N
SmilesC1(I)=CC=CC(I)=C1
parameter in TMS
-
1H NMR 300 MHz C6 H4 I2 10 mol% in TMS m-diiodobenzene 
Parameter ppm Hz
D(A) 8.001 D(B) 7.537 D(C) 6.649 J(A,B) 1.62 J(A,B') 1.62 J(A,C) 0.28 J(B,B') 0.00 J(B,C) 7.93 J(B',C) 7.93 CRECELY,R.W. ET AL. SPECTROCHIM.ACTA 24A, 685 (1968) J(B,B'):0.99HZ. J(C-13,A):171.88HZ. J(C-13,B):167.45HZ. J(C-13,C):163.94HZ.
Hz ppm Int.2401.91 8.006 455 2400.32 8.001 864 2398.73 7.996 473 2265.93 7.553 947 2264.32 7.548 919 2258.01 7.527 1000 2256.39 7.521 984 2002.52 6.675 435 1994.59 6.649 779 1986.66 6.622 387
