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
Mass
MS-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
1H NMR | 399.65 MHz |
C10 H12 O4 | 0.028 g : 0.5 ml DMSO-d6 |
methyl 3,5-dimethoxybenzoate |
Assign. Shift(ppm) |
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
1H NMR | 300 MHz |
C10 H12 O4 | 1.0 M in acetone-d6 |
methyl 3,5-dimethoxybenzoate |
Parameter ppm Hz |
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
Methyl 3,5-dimethoxybenzoate(2150-37-0) 1H NMR Atlas of Related Products
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