Product Name3-Methoxysalicylic acid
CAS877-22-5
Molecular FormulaC8H8O4
Molecular Weight168.15
InChIInChI=1S/C8H8O4/c1-12-6-4-2-3-5(7(6)9)8(10)11/h2-4,9H,1H3,(H,10,11)
InChIKey AUZQQIPZESHNMG-UHFFFAOYSA-N
SmilesC(O)(=O)C1=CC=CC(OC)=C1O
Mass
MS-IW-6998 3-methoxysalicylic acid C8H8O4 (Mass of molecular ion: 168)
Source Temperature: 140 °C Sample Temperature: 130 °C Direct, 75 eV
18.0 2.3 26.0 1.1 27.0 2.9 28.0 2.2 29.0 1.4 37.0 1.2 38.0 2.0 39.0 5.3 41.0 1.0 45.0 2.0 48.5 2.9 49.0 1.1 50.0 5.1 51.0 16.6 52.0 5.8 53.0 9.6 54.0 1.3 55.0 6.0 61.0 1.1 62.0 2.7 62.5 1.6 63.0 6.0 64.0 3.2 65.0 6.2 66.0 3.8 68.0 1.4 74.0 2.7 75.0 1.1 76.0 2.4 77.0 2.3 78.0 1.1 79.0 12.3 80.0 2.9 81.0 1.3 91.0 2.5 92.0 22.1 93.0 5.3 94.0 4.0 104.0 1.9 105.0 1.6 106.0 1.1 107.0 34.3 108.0 5.7 109.0 1.3 119.0 2.5 120.0 31.4 121.0 36.9 122.0 100.0 123.0 8.1 124.0 1.5 135.0 1.8 136.0 1.3 147.0 1.0 149.0 13.1 150.0 81.4 151.0 9.9 152.0 2.0 168.0 70.9 169.0 6.8
400 MHz at 50C
1H NMR | 399.65 MHz |
C8 H8 O4 | 0.038 g : 0.5 ml CDCl3 at 50C |
3-methoxysalicylic acid |
Assign. Shift(ppm) |
Hz ppm Int.
3013.82 7.542 109 3012.36 7.538 114 3005.76 7.521 121 3004.30 7.518 116 2841.10 7.109 83 2839.63 7.106 84 2833.04 7.089 98 2831.75 7.086 93 2749.33 6.880 119 2741.27 6.860 199 2733.21 6.840 96 1561.49 3.908 1000
in CDCl3
KBr disc
nujol mull
3-Methoxysalicylic acid(877-22-5) 1H NMR Atlas of Related Products
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