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
Mass
MS-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 |
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Assign. Shift(ppm) |
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 |
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Assign. Shift(ppm) |
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
3,5-Dibromosalicylaldehyde(90-59-5) Raman Atlas of Related Products
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