1,3,5-Trimethoxybenzene(621-23-8) MS
Product Name1,3,5-Trimethoxybenzene
CAS621-23-8
Molecular FormulaC9H12O3
Molecular Weight168.19
InChIInChI=1S/C9H12O3/c1-10-7-4-8(11-2)6-9(5-7)12-3/h4-6H,1-3H3
InChIKey LKUDPHPHKOZXCD-UHFFFAOYSA-N
SmilesC1(OC)=CC(OC)=CC(OC)=C1
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MassMS-IW-4309 1,3,5-trimethoxybenzene C9H12O3 (Mass of molecular ion: 168)
Source Temperature: 240 °C Sample Temperature: 150 °C Reservoir, 75 eV
39.0 2.0 41.0 1.3 51.0 2.7 52.0 4.1 53.0 1.4 59.0 1.5 62.0 1.0 63.0 2.6 64.0 1.2 65.0 3.0 66.0 1.1 67.0 1.1 69.0 6.9 77.0 3.6 78.0 6.2 79.0 4.9 80.0 2.1 82.0 1.0 84.0 1.5 92.0 1.1 93.0 2.8 94.0 2.1 95.0 4.8 96.0 1.1 107.0 4.4 108.0 6.2 109.0 10.6 110.0 2.7 122.0 3.1 123.0 1.0 124.0 6.0 125.0 8.5 137.0 4.2 138.0 6.0 139.0 61.0 140.0 5.4 167.0 12.1 168.0 100.0 169.0 10.2 170.0 1.1
90 MHz in CDCl3
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1H NMR 89.56 MHz C9 H12 O3 0.050 g : 0.5 ml CDCl3 1,3,5-trimethoxybenzene 
Assign. Shift(ppm)
A 6.080 B 3.753
Hz ppm Int.544.50 6.080 367 336.13 3.754 1000
in CDCl3
CCl4 solution
KBr disc
4880 A,200 M,powder
