3-(4-METHOXYBENZOYL)PROPIONIC ACID(3153-44-4) Raman
Product Name3-(4-METHOXYBENZOYL)PROPIONIC ACID
CAS3153-44-4
Molecular FormulaC11H12O4
Molecular Weight208.21
InChIInChI=1S/C11H12O4/c1-15-9-4-2-8(3-5-9)10(12)6-7-11(13)14/h2-5H,6-7H2,1H3,(H,13,14)
InChIKey OMTDIBZSUZNVJK-UHFFFAOYSA-N
SmilesC1(C=CC(OC)=CC=1)C(=O)CCC(=O)O
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MassMS-IW-0079 3-(p-methoxybenzoyl)propionic acid C11H12O4 (Mass of molecular ion: 208)
Source Temperature: 230 °C Sample Temperature: 120 °C Direct, 75 eV
63.0 1.5 64.0 2.4 77.0 8.0 92.0 5.3 107.0 8.0 135.0 100.0 136.0 8.9 190.0 1.3 191.0 1.4 208.0 16.4 209.0 2.1
90 MHz in DMSO-d6
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1H NMR 89.56 MHz C11 H12 O4 0.041 g : 0.5 ml DMSO-d6 3-(p-methoxybenzoyl)propionic acid 
Assign. Shift(ppm)
A 12.1 B 7.967 C 7.048 D 3.845 E 3.192 F 2.561
Hz ppm Int.1085.74 12.124 53 721.09 8.052 38 718.26 8.020 205 716.21 7.997 78 714.36 7.977 36 713.96 7.972 37 711.43 7.944 96 709.28 7.920 247 706.54 7.890 43 638.28 7.127 42 635.45 7.096 249 633.50 7.074 88 631.15 7.048 35 630.76 7.043 35 628.52 7.018 82 626.56 6.996 203 623.83 6.966 37 349.61 3.904 31 344.43 3.846 1000 293.07 3.273 75 292.77 3.269 75 287.01 3.205 159 280.37 3.131 125 236.04 2.636 114 229.49 2.563 173 223.14 2.492 159
in DMSO-d6
KBr disc
nujol mull
