4-IODO-M-XYLENE(4214-28-2) 1H NMR
Product Name4-IODO-M-XYLENE
CAS4214-28-2
Molecular FormulaC8H9I
Molecular Weight232.06
InChIInChI=1S/C8H9I/c1-6-3-4-8(9)7(2)5-6/h3-5H,1-2H3
InChIKey BUNKQJAMHYKQIM-UHFFFAOYSA-N
SmilesC1(I)=CC=C(C)C=C1C
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MassMS-IW-3843 4-iodo-m-xylene C8H9I (Mass of molecular ion: 232)
Source Temperature: 220 °C Sample Temperature: 150 °C Reservoir, 75 eV
27.0 1.7 39.0 4.0 50.0 2.5 51.0 5.2 52.0 1.9 53.0 1.6 62.0 2.0 63.0 4.7 64.0 1.2 65.0 1.7 74.0 1.3 75.0 1.1 76.0 1.1 77.0 16.9 78.0 6.7 79.0 18.9 80.0 1.2 89.0 1.7 90.0 1.3 102.0 1.7 103.0 14.7 104.0 7.2 105.0 46.5 106.0 4.2 116.0 1.2 127.0 2.1 217.0 1.1 231.0 2.2 232.0 100.0 233.0 8.9
400 MHz in CDCl3
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1H NMR 399.65 MHz C8 H9 I 0.05 ml : 0.5 ml CDCl3 4-iodo-m-xylene 
Assign. Shift(ppm)
A 7.609 B 6.996 C 6.629 D *1 2.339 E *1 2.216
Hz ppm Int.3045.04 7.620 291 3037.11 7.600 299 2797.49 7.000 215 2796.75 6.998 215 2795.90 6.996 218 2795.53 6.995 224 2654.54 6.643 128 2653.93 6.641 122 2652.95 6.639 120 2652.34 6.637 130 2651.73 6.636 108 2647.22 6.624 96 2646.61 6.623 124 2646.00 6.621 119 2645.02 6.619 119 2644.41 6.617 126 945.19 2.366 36 935.06 2.340 1000 925.05 2.315 46 885.74 2.217 965 875.73 2.192 47
in CDCl3
liquid film
