Methyl 3,5-dimethoxybenzoate(2150-37-0) 13C NMR
Product NameMethyl 3,5-dimethoxybenzoate
CAS2150-37-0
Molecular FormulaC10H12O4
Molecular Weight196.2
InChIInChI=1S/C10H12O4/c1-12-8-4-7(10(11)14-3)5-9(6-8)13-2/h4-6H,1-3H3
InChIKey YXUIOVUOFQKWDM-UHFFFAOYSA-N
SmilesC(OC)(=O)C1=CC(OC)=CC(OC)=C1
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MassMS-NW-7260 methyl 3,5-dimethoxybenzoate C10H12O4 (Mass of molecular ion: 196)
Source Temperature: 210 °C Sample Temperature: 190 °C Reservoir, 75 eV
15.0 8.6 27.0 1.2 28.0 2.9 29.0 2.0 37.0 1.0 38.0 2.9 39.0 3.9 41.0 1.2 50.0 3.8 51.0 10.3 52.0 3.4 53.0 2.8 59.0 7.5 61.0 1.6 62.0 5.5 63.0 15.2 64.0 5.1 65.0 2.6 66.0 2.9 69.0 9.2 74.0 2.1 75.0 2.3 77.0 13.6 78.0 4.0 79.0 8.7 80.0 1.5 82.0 1.2 82.5 2.2 83.0 1.1 91.0 2.1 92.0 5.3 93.0 2.1 94.0 3.8 95.0 2.7 98.0 2.3 105.0 1.3 106.0 3.4 107.0 17.9 108.0 6.0 109.0 8.2 110.0 1.4 121.0 1.2 122.0 29.2 123.0 5.3 125.0 2.5 135.0 11.4 136.0 1.6 137.0 34.3 138.0 35.0 139.0 3.4 150.0 3.1 151.0 1.9 153.0 1.6 163.0 1.0 165.0 78.1 166.0 9.0 167.0 1.4 195.0 1.5 196.0 100.0 197.0 11.4 198.0 1.5
400 MHz in DMSO-d6
parameter in acetone-d6
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1H NMR 399.65 MHz C10 H12 O4 0.028 g : 0.5 ml DMSO-d6 methyl 3,5-dimethoxybenzoate 
Assign. Shift(ppm)
A 7.069 B 6.780 C 3.849 D 3.800
Hz ppm Int.2826.42 7.073 223 2824.10 7.067 223 2711.55 6.785 61 2709.23 6.780 107 2706.79 6.773 54 1538.57 3.850 562 1518.92 3.801 1000
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1H NMR 300 MHz C10 H12 O4 1.0 M in acetone-d6 methyl 3,5-dimethoxybenzoate Parameter ppm Hz
D(A) 7.117 D(B) 6.692 J(A,B) 2.36 D(C) 3.859 D(D) 3.825 SCOTT,K.N. J.MAGN.RESON. 2, 361 (1970)
Hz ppm Int.2136.31 7.121 168 2133.96 7.113 174 2009.93 6.700 46 2007.61 6.692 85 2005.23 6.684 42 1157.69 3.859 501 1147.53 3.825 1000
in DMSO-d6
KBr disc
nujol mull
4880 A,200 M,powder
