3,4,5-Trimethoxyphenol(642-71-7) MS
Product Name3,4,5-Trimethoxyphenol
CAS642-71-7
Molecular FormulaC9H12O4
Molecular Weight184.19
InChIInChI=1S/C9H12O4/c1-11-7-4-6(10)5-8(12-2)9(7)13-3/h4-5,10H,1-3H3
InChIKey VTCDZPUMZAZMSB-UHFFFAOYSA-N
SmilesC1(O)=CC(OC)=C(OC)C(OC)=C1
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MassMS-NW-7382 3,4,5-trimethoxyphenol C9H12O4 (Mass of molecular ion: 184)
Source Temperature: 210 °C Sample Temperature: 190 °C Reservoir, 75 eV
15.0 2.2 27.0 1.4 29.0 1.7 38.0 1.9 39.0 4.7 41.0 1.2 42.0 1.1 43.0 1.5 50.0 1.9 51.0 1.9 52.0 1.5 53.0 6.0 54.0 1.5 55.0 5.0 59.0 2.5 65.0 3.0 66.0 1.8 69.0 22.8 70.0 1.0 80.0 1.5 81.0 3.3 82.0 1.2 83.0 1.0 85.0 1.4 93.0 1.6 95.0 2.8 96.0 1.1 97.0 1.7 98.0 1.7 108.0 2.2 109.0 9.8 110.0 1.4 111.0 20.6 112.0 1.5 123.0 1.9 124.0 3.8 125.0 2.7 126.0 19.0 127.0 1.8 137.0 1.1 138.0 2.3 139.0 1.2 140.0 1.5 141.0 39.9 142.0 3.1 153.0 1.7 154.0 1.8 155.0 1.9 168.0 5.9 169.0 100.0 170.0 9.5 171.0 1.3 183.0 2.1 184.0 73.3 185.0 7.7 186.0 1.0
90 MHz in CDCl3
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1H NMR 89.56 MHz C9 H12 O4 0.034 g : 0.5 ml CDCl3 3,4,5-trimethoxyphenol 
Assign. Shift(ppm)
A 6.084 B 5.6 C 3.782 D 3.768
Hz ppm Int.544.94 6.085 160 338.75 3.783 742 337.56 3.770 1000
in CDCl3
KBr disc
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