3-(2-METHOXYPHENYL)PROPIONIC ACID(6342-77-4) IR2
Product Name3-(2-METHOXYPHENYL)PROPIONIC ACID
CAS6342-77-4
Molecular FormulaC10H12O3
Molecular Weight180.2
InChIInChI=1S/C10H12O3/c1-13-9-5-3-2-4-8(9)6-7-10(11)12/h2-5H,6-7H2,1H3,(H,11,12)
InChIKey XSZSNLOPIWWFHS-UHFFFAOYSA-N
SmilesC1(CCC(O)=O)=CC=CC=C1OC
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MassMS-NW-6671 3-(o-methoxyphenyl)propionic acid C10H12O3 (Mass of molecular ion: 180)
Source Temperature: 140 °C Sample Temperature: 100 °C Direct, 75 eV
15.0 1.1 27.0 2.9 28.0 1.6 38.0 1.3 39.0 7.2 41.0 1.8 45.0 2.3 50.0 2.6 51.0 8.0 52.0 2.8 53.0 1.4 55.0 1.6 62.0 1.1 63.0 4.3 64.0 1.5 65.0 11.3 66.0 1.1 75.0 1.1 76.0 1.0 77.0 13.6 78.0 5.4 79.0 3.6 89.0 2.4 90.0 1.8 91.0 79.8 92.0 7.3 93.0 5.7 102.0 1.1 103.0 5.0 104.0 1.2 105.0 4.3 107.0 2.6 108.0 4.0 119.0 10.1 120.0 2.8 121.0 100.0 122.0 8.9 123.0 2.0 134.0 25.5 135.0 4.8 147.0 1.0 180.0 64.3 181.0 7.2
400 MHz in DMSO-d6
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1H NMR 399.65 MHz C10 H12 O3 0.037 g : 0.5 ml DMSO-d6 3-(o-methoxyphenyl)propionic acid 
Assign. Shift(ppm)
A 12.0 B 7.188 C 7.143 D 6.943 E 6.859 F 3.783 G 2.787 J 2.471
Hz ppm Int.2882.12 7.212 38 2880.29 7.208 44 2873.88 7.191 68 2872.78 7.189 73 2866.56 7.173 49 2864.72 7.169 59 2859.41 7.155 77 2857.76 7.151 66 2852.09 7.137 89 2850.44 7.133 70 2779.00 6.954 103 2778.45 6.953 104 2770.94 6.934 90 2770.21 6.932 86 2748.78 6.878 64 2747.68 6.876 59 2741.27 6.860 111 2740.35 6.857 102 2733.94 6.841 52 2732.84 6.839 47 1512.22 3.784 1000 1122.26 2.809 89 1114.75 2.790 159 1106.69 2.770 114 994.96 2.490 145 990.20 2.478 40 988.00 2.473 123 986.90 2.470 199 984.70 2.464 38 979.39 2.451 112
DMSO-d6
KBr disc
nujol mull
4880 A,200 M,powder
