Product Name3-Methoxyphenylacetic acid
CAS1798-09-0
Molecular FormulaC9H10O3
Molecular Weight166.17
InChIInChI=1S/C9H10O3/c1-12-8-4-2-3-7(5-8)6-9(10)11/h2-5H,6H2,1H3,(H,10,11)
InChIKey LEGPZHPSIPPYIO-UHFFFAOYSA-N
SmilesC1(CC(O)=O)=CC=CC(OC)=C1
Mass
MS-NW-6620 m-methoxyphenylacetic acid C9H10O3 (Mass of molecular ion: 166)
Source Temperature: 260 °C Sample Temperature: 190 °C Reservoir, 75 eV
15.0 1.7 18.0 3.1 27.0 2.6 28.0 2.6 29.0 1.1 38.0 2.5 39.0 8.1 41.0 2.3 44.0 1.1 45.0 2.8 50.0 4.5 51.0 9.9 52.0 5.3 53.0 2.2 55.0 1.7 62.0 2.4 63.0 5.4 64.0 1.8 65.0 7.4 66.0 1.4 67.0 1.4 74.0 1.1 76.0 1.1 77.0 17.2 78.0 13.3 79.0 6.3 89.0 5.0 90.0 3.8 91.0 36.1 92.0 5.9 93.0 1.3 95.0 1.2 105.0 2.5 106.0 3.9 107.0 7.4 119.0 1.0 120.0 1.5 121.0 100.0 122.0 17.2 123.0 2.6 148.0 5.9 166.0 84.2 167.0 9.1 168.0 1.1
90 MHz in CDCl3
1H NMR | 89.56 MHz |
C9 H10 O3 | 0.045 g : 0.5 ml CDCl3 |
m-methoxyphenylacetic acid |
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Assign. Shift(ppm) |
Hz ppm Int.
1008.64 11.263 31 656.16 7.327 24 648.22 7.238 49 647.02 7.225 47 640.01 7.147 57 639.25 7.138 34 617.37 6.894 58 616.09 6.880 73 613.53 6.851 98 612.59 6.840 101 611.39 6.827 79 610.79 6.820 66 609.51 6.806 116 607.29 6.781 46 605.92 6.766 28 338.38 3.779 1000 322.49 3.601 298
in CDCl3
KBr disc
nujol mull
3-Methoxyphenylacetic acid(1798-09-0) 13C NMR Atlas of Related Products
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