Methyl 3,4,5-trimethoxybenzoate(1916-07-0) MS
Product NameMethyl 3,4,5-trimethoxybenzoate
CAS1916-07-0
Molecular FormulaC11H14O5
Molecular Weight226.23
InChIInChI=1S/C11H14O5/c1-13-8-5-7(11(12)16-4)6-9(14-2)10(8)15-3/h5-6H,1-4H3
InChIKey KACHFMOHOPLTNX-UHFFFAOYSA-N
SmilesC(OC)(=O)C1=CC(OC)=C(OC)C(OC)=C1
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MassMS-NW-7255 methyl 3,4,5-trimethoxybenzoate C11H14O5 (Mass of molecular ion: 226)
Source Temperature: 220 °C Sample Temperature: 190 °C Reservoir, 75 eV
15.0 5.1 27.0 1.9 28.0 2.5 29.0 1.2 38.0 4.3 39.0 3.1 43.0 1.3 45.0 1.6 50.0 4.7 51.0 2.4 53.0 5.2 59.0 10.2 61.0 1.0 62.0 1.6 63.0 2.5 65.0 2.0 66.0 9.4 67.0 1.3 69.0 3.5 75.0 1.9 76.0 2.0 77.0 5.3 78.0 2.4 79.0 3.2 81.0 5.4 91.0 1.0 92.0 2.3 93.0 2.8 94.0 1.7 95.0 3.2 96.0 1.3 106.0 1.3 107.0 3.9 108.0 2.8 109.0 5.6 112.0 1.2 113.0 1.1 119.0 2.0 121.0 1.4 122.0 3.8 123.0 4.5 124.0 6.0 125.0 8.7 134.0 1.3 135.0 3.0 136.0 2.5 137.0 5.3 138.0 1.1 139.0 1.6 140.0 4.0 149.0 1.1 150.0 1.8 151.0 7.9 152.0 6.2 153.0 6.8 155.0 20.6 156.0 1.9 165.0 3.8 166.0 4.2 167.0 2.5 168.0 5.8 179.0 2.3 180.0 1.2 181.0 1.1 183.0 10.4 184.0 1.0 195.0 28.0 196.0 5.1 197.0 1.3 210.0 1.4 211.0 49.9 212.0 6.1 213.0 1.0 226.0 100.0 227.0 12.4 228.0 1.8
400 MHz in CDCl3
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1H NMR 399.65 MHz C11 H14 O5 0.036 g : 0.5 ml CDCl3 methyl 3,4,5-trimethoxybenzoate 
Assign. Shift(ppm)
A 7.306 B 3.913
Hz ppm Int.2920.29 7.308 265 1564.21 3.914 1000
in CDCl3
KBr disc
nujol mull
4880 A,200 M,powder
