3,4-Dimethoxyhydrocinnamic acid(2107-70-2) IR2
Product Name3,4-Dimethoxyhydrocinnamic acid
CAS2107-70-2
Molecular FormulaC11H14O4
Molecular Weight210.23
InChIInChI=1S/C11H14O4/c1-14-9-5-3-8(4-6-11(12)13)7-10(9)15-2/h3,5,7H,4,6H2,1-2H3,(H,12,13)
InChIKey LHHKQWQTBCTDQM-UHFFFAOYSA-N
SmilesC1(CCC(O)=O)=CC=C(OC)C(OC)=C1
-
MassMS-NW-9782 3-(3,4-dimethoxyphenyl)propionic acid C11H14O4 (Mass of molecular ion: 210)
Source Temperature: 160 °C Sample Temperature: 120 °C Direct, 75 eV
18.0 1.1 39.0 1.4 51.0 1.7 55.0 1.4 65.0 2.0 77.0 4.1 78.0 2.1 79.0 2.3 90.0 1.2 91.0 4.2 103.0 1.4 105.0 2.7 106.0 2.1 107.0 6.5 108.0 2.4 119.0 1.2 121.0 3.7 135.0 2.6 136.0 1.1 137.0 1.1 149.0 6.7 150.0 1.4 151.0 100.0 152.0 10.0 153.0 1.4 164.0 1.5 165.0 1.3 195.0 1.5 210.0 42.5 211.0 5.2
90 MHz in CDCl3
-
1H NMR 89.56 MHz C11 H14 O4 0.040 g : 0.5 ml CDCl3 3-(3,4-dimethoxyphenyl)propionic acid 
Assign. Shift(ppm)
A 11.4 B 6.76 C *1 3.857 D *1 3.847 E 2.90 F 2.67
Hz ppm Int.1022.14 11.413 31 606.69 6.775 262 605.24 6.758 175 604.13 6.746 154 602.50 6.728 61 345.56 3.859 829 344.45 3.847 1000 260.71 2.912 60 253.61 2.832 74 245.07 2.737 76 243.87 2.723 73 240.88 2.690 22 239.00 2.669 55 237.89 2.657 81 236.10 2.637 22 234.22 2.616 26 231.31 2.583 28
in CDCl3
KBr disc
nujol mull
