3-Methoxysalicylaldehyde(148-53-8) MS
Product Name3-Methoxysalicylaldehyde
CAS148-53-8
Molecular FormulaC8H8O3
Molecular Weight152.15
InChIInChI=1S/C8H8O3/c1-11-7-4-2-3-6(5-9)8(7)10/h2-5,10H,1H3
InChIKey JJVNINGBHGBWJH-UHFFFAOYSA-N
SmilesC(=O)C1=CC=CC(OC)=C1O
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MassMS-NW-3598 3-methoxysalicylaldehyde C8H8O3 (Mass of molecular ion: 152)
Source Temperature: 280 °C Sample Temperature: 180 °C Reservoir, 75 eV
15.0 3.2 26.0 2.3 27.0 10.0 28.0 3.3 29.0 6.3 37.0 2.3 38.0 4.1 39.0 10.3 40.5 2.3 41.0 2.0 49.0 1.3 50.0 7.0 51.0 10.3 52.0 10.9 53.0 14.4 54.0 2.0 55.0 11.3 61.0 1.6 62.0 3.2 63.0 6.7 64.0 3.4 65.0 7.9 66.0 3.1 67.0 2.6 74.0 1.1 75.0 1.4 76.0 12.1 77.0 5.5 78.0 6.2 79.0 4.9 80.0 4.4 81.0 25.1 82.0 1.6 91.0 1.3 92.0 5.9 93.0 5.1 94.0 2.0 95.0 3.3 104.0 2.3 105.0 6.5 106.0 43.5 107.0 6.4 108.0 10.5 109.0 31.9 110.0 2.5 120.0 5.3 121.0 7.8 122.0 15.1 123.0 5.8 124.0 2.5 133.0 2.3 134.0 1.8 136.0 4.8 137.0 3.7 151.0 21.9 152.0 100.0 153.0 9.1 154.0 1.1
90 MHz in CDCl3
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1H NMR 89.56 MHz C8 H8 O3 0.048 g : 0.5 ml CDCl3 3-methoxysalicylaldehyde 
Assign. Shift(ppm)
A 11.08 B 9.91 C 7.17 D 7.11 E 6.99 F 3.918
Hz ppm Int.992.92 11.087 266 992.32 11.080 229 887.90 9.915 516 648.56 7.242 66 646.34 7.217 68 641.47 7.163 113 640.53 7.152 54 639.33 7.139 185 635.40 7.095 127 633.18 7.070 49 629.50 7.029 224 622.50 6.951 102 621.47 6.940 62 614.38 6.860 43 350.85 3.918 1000
in CDCl3
KBr disc
nujol mull
