3,4,5-TRIMETHOXYBENZOIC ANHYDRIDE(1719-88-6) MS
Product Name3,4,5-TRIMETHOXYBENZOIC ANHYDRIDE
CAS1719-88-6
Molecular FormulaC20H22O9
Molecular Weight406.38
InChIInChI=1S/C20H22O9/c1-23-13-7-11(8-14(24-2)17(13)27-5)19(21)29-20(22)12-9-15(25-3)18(28-6)16(10-12)26-4/h7-10H,1-6H3
InChIKey LQJFTZJNDJDCKV-UHFFFAOYSA-N
SmilesC1(C(=O)OC(=O)C2=CC(=C(OC)C(OC)=C2)OC)C=C(C(OC)=C(OC)C=1)OC
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MassMS-NW-6995 3,4,5-trimethoxybenzoic anhydride C20H22O9 (Mass of molecular ion: 406)
Source Temperature: 220 °C Sample Temperature: 170 °C Direct, 75 eV
53.0 1.8 66.0 3.0 77.0 3.4 79.0 1.0 81.0 3.7 92.0 1.3 96.0 1.1 107.0 1.2 109.0 2.6 122.0 2.5 124.0 1.5 137.0 3.2 139.0 1.4 152.0 4.4 167.0 2.3 195.0 100.0 196.0 11.1 197.0 2.2 212.0 1.6 362.0 2.6 406.0 27.2 407.0 6.0 408.0 1.1
parameter in CDCl3
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1H NMR 300 MHz C20 H22 O9 0.035 g : 0.5 ml CDCl3 3,4,5-trimethoxybenzoic anhydride 
Parameter ppm Hz
D(A) 7.387 D(B) 3.963 D(C) 3.931
Hz ppm Int.2216.11 7.387 333 1188.91 3.963 501 1179.32 3.931 1000
in CDCl3
KBr disc
nujol mull
