3-(4-Methoxyphenyl)propionic acid(1929-29-9) MS
Product Name3-(4-Methoxyphenyl)propionic acid
CAS1929-29-9
Molecular FormulaC10H12O3
Molecular Weight180.2
InChIInChI=1S/C10H12O3/c1-13-9-5-2-8(3-6-9)4-7-10(11)12/h2-3,5-6H,4,7H2,1H3,(H,11,12)
InChIKey FIUFLISGGHNPSM-UHFFFAOYSA-N
SmilesC1(CCC(O)=O)=CC=C(OC)C=C1
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MassMS-NW-6614 3-(p-methoxyphenyl)propionic acid C10H12O3 (Mass of molecular ion: 180)
Source Temperature: 260 °C Sample Temperature: 190 °C Reservoir, 75 eV
27.0 1.3 39.0 3.1 41.0 1.2 45.0 1.0 50.0 1.5 51.0 3.2 52.0 1.3 63.0 2.5 64.0 1.2 65.0 3.7 77.0 7.3 78.0 4.0 79.0 1.5 89.0 1.4 90.0 1.1 91.0 7.3 92.0 1.7 103.0 1.6 105.0 1.4 119.0 2.4 121.0 100.0 122.0 9.1 134.0 3.5 135.0 1.1 162.0 1.3 180.0 25.4 181.0 3.1
400 MHz in CDCl3
90 MHz in CDCl3
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1H NMR 399.65 MHz C10 H12 O3 0.038 g : 0.5 ml CDCl3 3-(p-methoxyphenyl)propionic acid 
Assign. Shift(ppm)
A 11. B 7.120 C 6.833 D 3.777 E 2.892 F 2.64 90MHZ:HSP-03-648
Hz ppm Int.2850.25 7.132 165 2848.24 7.127 60 2843.66 7.116 61 2841.46 7.110 195 2734.86 6.844 225 2732.84 6.839 72 2728.26 6.827 64 2726.25 6.822 201 1509.48 3.778 1000 1164.39 2.914 75 1156.88 2.895 145 1148.82 2.875 103 1062.92 2.660 128 1058.15 2.648 31 1056.32 2.644 102 1055.04 2.640 211 1053.21 2.636 38 1047.90 2.623 91 1047.35 2.621 94
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1H NMR 89.56 MHz C10 H12 O3 0.044 g : 0.5 ml CDCl3 3-(p-methoxyphenyl)propionic acid Assign. Shift(ppm)
A 11. B 7.105 C 6.834 D 3.771 E 2.88 F 2.647
Hz ppm Int.642.24 7.172 85 639.93 7.146 30 635.74 7.099 36 633.35 7.072 162 615.23 6.870 202 612.93 6.844 48 608.57 6.796 34 606.35 6.771 102 337.78 3.772 1000 259.59 2.899 59 252.42 2.819 74 242.85 2.712 101 241.56 2.698 86 236.61 2.642 68 235.50 2.630 103 232.17 2.593 32 228.83 2.556 37
in CDCl3
KBr disc
nujol mull
4880 A,200 M,powder
