Methyl gallate(99-24-1) MS
Product NameMethyl gallate
CAS99-24-1
Molecular FormulaC8H8O5
Molecular Weight184.15
InChIInChI=1S/C8H8O5/c1-13-8(12)4-2-5(9)7(11)6(10)3-4/h2-3,9-11H,1H3
InChIKey FBSFWRHWHYMIOG-UHFFFAOYSA-N
SmilesC(OC)(=O)C1=CC(O)=C(O)C(O)=C1
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MassMS-NW-8195 methyl gallate C8H8O5 (Mass of molecular ion: 184)
Source Temperature: 230 °C Sample Temperature: 130 °C Direct, 75 eV
15.0 1.4 27.0 1.1 28.0 4.9 29.0 1.7 38.0 1.7 39.0 4.6 40.0 1.6 41.0 1.5 43.0 1.0 50.0 2.5 51.0 5.1 53.0 3.3 55.0 1.2 66.0 1.2 67.0 1.6 68.0 1.8 69.0 1.8 77.0 1.1 78.0 2.6 79.0 8.5 97.0 1.3 107.0 4.6 114.0 1.2 124.0 3.0 125.0 20.6 126.0 3.6 127.0 2.4 135.0 1.1 139.0 1.0 152.0 1.6 153.0 100.0 154.0 8.3 155.0 2.3 170.0 1.5 183.0 2.6 184.0 62.0 185.0 5.7
400 MHz in DMSO-d6
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1H NMR 399.65 MHz C8 H8 O5 0.038 g : 0.5 ml DMSO-d6 methyl gallate 
Assign. Shift(ppm)
A 6.973 B 3.765
Hz ppm Int.2787.02 6.974 828 1504.82 3.766 1000
in DMSO-d6
in D2O
KBr disc
nujol mull
