2-Hydroxy-5-methylisophthalaldehyde(7310-95-4) MS
Product Name2-Hydroxy-5-methylisophthalaldehyde
CAS7310-95-4
Molecular FormulaC9H8O3
Molecular Weight164.16
InChIInChI=1S/C9H8O3/c1-6-2-7(4-10)9(12)8(3-6)5-11/h2-5,12H,1H3
InChIKey ZBOUXALQDLLARY-UHFFFAOYSA-N
SmilesC1(C=O)=CC(C)=CC(C=O)=C1O
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MassMS-NW-9461 2-hydroxy-5-methylisophthalaldehyde C9H8O3 (Mass of molecular ion: 164)
Source Temperature: 160 °C Sample Temperature: 100 °C Direct, 75 eV
18.0 4.6 27.0 5.3 28.0 1.9 29.0 3.0 38.0 1.6 39.0 8.4 40.0 1.1 43.0 1.7 45.0 1.4 50.0 4.7 51.0 11.0 52.0 4.5 53.0 10.2 54.0 1.6 55.0 3.6 59.0 2.3 62.0 2.5 63.0 5.9 64.0 2.1 65.0 2.4 66.0 1.1 67.0 1.3 68.0 1.8 74.0 1.5 75.0 1.2 77.0 23.2 78.0 5.0 79.0 18.4 80.0 3.1 81.0 1.0 82.0 1.5 89.0 11.5 90.0 23.4 91.0 3.8 105.0 2.5 106.0 1.3 107.0 23.5 108.0 2.8 118.0 4.7 119.0 1.6 133.0 1.8 135.0 42.0 136.0 100.0 137.0 8.6 161.0 4.7 163.0 7.9 164.0 70.2 165.0 8.0
400 MHz in CDCl3
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1H NMR 399.65 MHz C9 H8 O3 0.026 g : 0.5 ml CDCl3 2-hydroxy-5-methylisophthalaldehyde 
Assign. Shift(ppm)
A 11.46 B 10.213 C 7.769 D 2.389
Hz ppm Int.4580.08 11.461 489 4081.87 10.214 180 3105.22 7.770 378 955.03 2.390 1000
in CDCl3
KBr disc
nujol mull
