3,4,5-Trimethoxybenzyl alcohol(3840-31-1) MS
Product Name3,4,5-Trimethoxybenzyl alcohol
CAS3840-31-1
Molecular FormulaC10H14O4
Molecular Weight198.22
InChIInChI=1S/C10H14O4/c1-12-8-4-7(6-11)5-9(13-2)10(8)14-3/h4-5,11H,6H2,1-3H3
InChIKey QPHLRCUCFDXGLY-UHFFFAOYSA-N
SmilesC1(CO)=CC(OC)=C(OC)C(OC)=C1
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MassMS-NW-6103 3,4,5-trimethoxybenzyl alcohol C10H14O4 (Mass of molecular ion: 198)
Source Temperature: 260 °C Sample Temperature: 190 °C Reservoir, 75 eV
15.0 5.9 18.0 1.7 27.0 3.8 28.0 4.0 29.0 3.4 31.0 2.8 38.0 2.5 39.0 8.5 40.0 1.2 41.0 6.6 43.0 2.0 45.0 2.2 50.0 2.8 51.0 4.6 52.0 3.3 53.0 6.6 55.0 3.4 57.0 2.0 59.0 2.0 62.0 1.2 63.0 2.1 64.0 1.2 65.0 4.4 66.0 3.4 67.0 4.0 68.0 1.9 69.0 3.5 71.0 1.0 77.0 6.3 78.0 1.8 79.0 2.7 80.0 2.1 81.0 6.3 82.0 1.9 83.0 3.0 89.0 1.5 92.0 1.1 93.0 4.1 94.0 1.8 95.0 16.5 96.0 2.7 97.0 4.8 105.0 1.4 107.0 2.1 108.0 2.8 109.0 3.2 110.0 2.2 111.0 4.5 112.0 2.3 121.0 1.5 122.0 1.4 123.0 13.0 124.0 4.1 125.0 4.5 126.0 1.5 127.0 27.8 128.0 2.4 135.0 1.1 136.0 1.9 137.0 3.3 138.0 4.2 139.0 3.8 140.0 5.1 148.0 1.7 151.0 4.6 152.0 2.1 153.0 1.4 154.0 2.7 155.0 9.5 165.0 1.1 167.0 4.0 169.0 4.8 181.0 7.4 182.0 2.6 183.0 18.4 184.0 2.1 196.0 3.2 197.0 2.0 198.0 100.0 199.0 11.2 200.0 1.6
90 MHz in CDCl3
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1H NMR 89.56 MHz C10 H14 O4 0.04 ml : 0.5 ml CDCl3 3,4,5-trimethoxybenzyl alcohol 
Assign. Shift(ppm)
A 6.549 B 4.55 C 3.794 D 3.6
Hz ppm Int.586.63 6.551 182 407.38 4.549 65 339.81 3.795 1000
in CDCl3
liquid film
