2,3-Dihydroxybenzaldehyde(24677-78-9) IR2
Product Name2,3-Dihydroxybenzaldehyde
CAS24677-78-9
Molecular FormulaC7H6O3
Molecular Weight138.12
InChIInChI=1S/C7H6O3/c8-4-5-2-1-3-6(9)7(5)10/h1-4,9-10H
InChIKey IXWOUPGDGMCKGT-UHFFFAOYSA-N
SmilesC(=O)C1=CC=CC(O)=C1O
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MassMS-NW-2388 2,3-dihydroxybenzaldehyde C7H6O3 (Mass of molecular ion: 138)
Source Temperature: 270 °C Sample Temperature: 170 °C Reservoir, 75 eV
18.0 1.0 26.0 1.9 27.0 7.9 28.0 2.5 29.0 5.2 37.0 2.1 38.0 3.7 39.0 6.1 46.0 1.3 49.0 1.5 50.0 4.7 51.0 5.9 52.0 4.6 53.0 8.0 54.0 1.9 55.0 9.5 61.0 1.3 62.0 2.7 63.0 12.0 64.0 12.8 65.0 1.7 69.0 1.7 79.0 1.7 80.0 1.5 81.0 19.3 82.0 2.5 91.0 2.3 92.0 23.5 93.0 1.9 107.0 2.6 108.0 2.5 109.0 10.4 110.0 4.5 119.0 1.2 120.0 14.7 121.0 1.3 136.0 2.9 137.0 69.5 138.0 100.0 139.0 7.8 151.0 1.1 152.0 2.7
90 MHz in CDCl3
400 MHz in CDCl3
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1H NMR 89.56 MHz C7 H6 O3 0.049 g : 0.5 ml CDCl3 2,3-dihydroxybenzaldehyde 
Assign. Shift(ppm)
A *1 11.09 B 9.877 C 7.18 D 7.13 E 6.951 F *1 5.89
Hz ppm Int.993.09 11.089 267 992.46 11.082 282 884.63 9.878 1000 649.52 7.253 61 648.89 7.246 65 647.46 7.230 74 646.91 7.224 75 644.76 7.200 104 642.70 7.177 177 641.75 7.166 79 640.16 7.148 184 639.69 7.143 192 636.75 7.110 418 634.69 7.087 140 627.47 7.007 378 624.61 6.975 22 620.25 6.926 188 619.45 6.917 145 612.23 6.836 99 526.86 5.883 90
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1H NMR 399.65 MHz C7 H6 O3 0.049 g : 0.5 ml CDCl3 2,3-dihydroxybenzaldehyde Assign. Shift(ppm)
A 11.10 B 9.886 C 7.193 D 7.145 E 6.947 F 5.84 J(C,E)=7.7HZ. J(C,D)=1.5HZ. J(D,E)=7.7HZ. J(A,C)=0.6HZ.
Hz ppm Int.4434.66 11.097 560 3950.96 9.887 1000 2880.10 7.207 164 2879.33 7.205 174 2878.57 7.203 183 2877.96 7.202 156 2875.67 7.196 27 2872.16 7.187 192 2871.55 7.186 210 2870.79 7.184 219 2870.03 7.182 192 2860.57 7.158 259 2859.04 7.154 225 2852.78 7.139 327 2851.26 7.135 262 2786.10 6.972 24 2783.51 6.965 279 2775.57 6.946 465 2767.79 6.926 206 2335.51 5.844 164
in CDCl3
CCl4 solution
KBr disc
nujol mull
