3,4,5-Triethoxybenzoic acid(6970-19-0) IR2
Product Name3,4,5-Triethoxybenzoic acid
CAS6970-19-0
Molecular FormulaC13H18O5
Molecular Weight254.28
InChIInChI=1S/C13H18O5/c1-4-16-10-7-9(13(14)15)8-11(17-5-2)12(10)18-6-3/h7-8H,4-6H2,1-3H3,(H,14,15)
InChIKey YCENSLDYFDZUMO-UHFFFAOYSA-N
SmilesC(O)(=O)C1=CC(OCC)=C(OCC)C(OCC)=C1
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MassMS-NW-8291 3,4,5-triethoxybenzoic acid C13H18O5 (Mass of molecular ion: 254)
Source Temperature: 170 °C Sample Temperature: 110 °C Direct, 75 eV
17.0 1.0 18.0 4.6 27.0 9.1 28.0 2.7 29.0 26.4 38.0 1.4 39.0 7.3 40.0 1.4 41.0 3.1 43.0 4.2 45.0 2.1 50.0 1.7 51.0 4.8 52.0 1.1 53.0 3.6 55.0 2.8 57.0 1.7 65.0 1.4 66.0 2.1 67.0 6.6 68.0 1.9 69.0 4.8 77.0 1.7 78.0 1.7 79.0 5.4 81.0 1.9 84.0 2.0 91.0 1.0 95.0 3.2 96.0 2.0 97.0 2.3 107.0 3.1 108.0 1.2 109.0 1.7 111.0 1.6 113.0 11.6 123.0 3.5 124.0 2.8 125.0 3.1 126.0 1.3 135.0 3.0 136.0 1.0 137.0 1.7 141.0 9.5 142.0 1.3 151.0 2.2 152.0 3.6 153.0 13.6 154.0 2.1 165.0 1.0 169.0 48.5 170.0 100.0 171.0 8.3 172.0 1.3 179.0 1.4 181.0 5.2 182.0 1.4 183.0 1.1 197.0 6.7 198.0 33.5 199.0 3.5 209.0 1.7 225.0 3.6 226.0 31.1 227.0 3.9 237.0 1.0 254.0 53.2 255.0 7.9 256.0 1.1 282.0 1.0
in CDCl3
KBr disc
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