3,5-Dibromosalicylaldehyde(90-59-5) MS
Product Name3,5-Dibromosalicylaldehyde
CAS90-59-5
Molecular FormulaC7H4Br2O2
Molecular Weight279.91
InChIInChI=1S/C7H4Br2O2/c8-5-1-4(3-10)7(11)6(9)2-5/h1-3,11H
InChIKey JHZOXYGFQMROFJ-UHFFFAOYSA-N
SmilesC(=O)C1=CC(Br)=CC(Br)=C1O
-
MassMS-KW-0257 3,5-dibromosalicylaldehyde C7H4Br2O2 (Mass of molecular ion: 278)
Source Temperature: 130 °C Sample Temperature: 100 °C Direct, 75 eV
18.0 3.2 28.0 2.2 29.0 3.8 37.0 5.0 38.0 4.6 39.0 2.7 45.0 1.0 46.0 2.9 49.0 1.6 50.0 3.4 53.0 7.2 60.0 1.8 61.0 9.2 62.0 17.7 63.0 26.5 64.0 6.7 66.0 1.5 71.0 1.7 72.0 1.7 73.0 2.0 74.0 5.9 75.0 1.9 85.0 5.0 85.5 1.0 86.0 4.7 90.0 2.8 91.0 7.1 92.0 5.2 117.0 3.3 118.0 1.0 119.0 3.3 125.0 1.7 126.0 3.1 127.0 1.4 139.0 1.6 140.0 3.4 141.0 5.9 142.0 2.3 143.0 9.7 144.0 2.2 145.0 5.4 153.0 3.5 155.0 3.5 169.0 1.2 170.0 10.8 171.0 2.6 172.0 10.5 173.0 1.6 198.0 1.0 199.0 1.0 200.0 1.2 221.0 3.5 223.0 7.0 225.0 3.3 232.0 3.9 234.0 7.4 236.0 3.7 250.0 2.2 251.0 1.7 252.0 3.5 253.0 1.0 254.0 1.6 260.0 4.7 262.0 9.2 264.0 4.6 277.0 20.7 278.0 52.3 279.0 44.1 280.0 100.0 281.0 27.3 282.0 48.4 283.0 3.8
90 MHz in CDCl3
400 MHz in CDCl3
-
1H NMR 89.56 MHz C7 H4 Br2 O2 0.046 g : 0.5 ml CDCl3 3,5-dibromosalicylaldehyde 
Assign. Shift(ppm)
A 11.49 B 9.811 C 7.892 D 7.661 J(C,D)=2.3HZ. J(A,C)=0.5HZ.
Hz ppm Int.1029.13 11.491 387 1028.61 11.486 419 878.69 9.812 1000 708.40 7.910 168 707.96 7.905 195 706.05 7.884 225 705.62 7.879 253 687.23 7.674 489 684.89 7.648 411
-
1H NMR 399.65 MHz C7H4Br2O2 0.039 g : 0.5 ml CDCl3 3,5-dibromosalicylaldehyde Assign. Shift(ppm)
A 11.50 B 9.813 C 7.893 D 7.665
Hz ppm Int.4597.97 11.502 681 3922.96 9.813 1000 3156.54 7.896 420 3154.16 7.890 427 3065.32 7.668 555 3062.94 7.662 534
in CDCl3
KBr disc
nujol mull
