5-Iodovanillin(5438-36-8) IR2
Product Name5-Iodovanillin
CAS5438-36-8
Molecular FormulaC8H7IO3
Molecular Weight278.04
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MassMS-NW-8059 4-hydroxy-3-iodo-5-methoxybenzaldehyde C8H7IO3 (Mass of molecular ion: 278)
Source Temperature: 170 °C Sample Temperature: 100 °C Direct, 75 eV
15.0 1.9 17.0 1.8 18.0 8.0 28.0 2.9 29.0 4.2 37.0 2.2 38.0 2.4 39.0 4.1 41.0 2.2 43.0 1.0 49.0 3.0 50.0 12.2 51.0 18.4 52.0 10.7 53.0 12.6 54.0 1.3 55.0 1.8 61.0 4.1 62.0 7.4 63.0 7.0 64.0 3.1 65.0 5.4 66.0 3.3 67.0 2.0 74.0 1.2 77.0 6.1 78.0 2.1 79.0 18.2 80.0 4.9 90.0 1.2 91.0 3.3 92.0 3.0 93.0 1.0 94.0 4.3 95.0 1.1 107.0 7.1 108.0 5.6 119.0 1.5 121.0 2.1 122.0 4.3 127.0 3.8 128.0 1.5 135.0 11.2 136.0 9.8 151.0 1.3 177.0 1.0 179.0 2.0 207.0 5.6 221.0 1.4 234.0 1.8 235.0 11.5 249.0 3.7 263.0 4.2 277.0 47.2 278.0 100.0 279.0 9.1 280.0 1.0
400 MHz in DMSO-d6
90 MHz in DMSO-d6
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1H NMR 399.65 MHz C8 H7 I O3 0.030 g : 0.5 ml DMSO-d6 4-hydroxy-3-iodo-5-methoxybenzaldehyde 
Assign. Shift(ppm)
A 10.8 B 9.762 C 7.894 D 7.423 E 3.907 J(C,D)=1.7HZ 90MHZ:HSP-06-266 IN DMSO-D6
Hz ppm Int.3901.45 9.763 555 3155.78 7.897 251 3154.13 7.893 282 2967.48 7.426 199 2965.83 7.422 211 1561.68 3.908 1000
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1H NMR 89.56 MHz C8 H7 I O3 0.040 g : 0.5 ml DMSO-d6 4-hydroxy-3-iodo-5-methoxybenzaldehyde Assign. Shift(ppm)
A 9.759 B 7.889 C 7.424 D 3.908 J(B,C)=1.7HZ
Hz ppm Int.874.07 9.760 517 707.52 7.900 239 705.76 7.881 245 665.48 7.431 200 663.79 7.412 178 350.10 3.910 1000 345.85 3.862 43 344.53 3.847 24
in DMSO-d6
KBr disc
nujol mull
