3,5-Dimethoxybenzyl alcohol(705-76-0) 13C NMR
Product Name3,5-Dimethoxybenzyl alcohol
CAS705-76-0
Molecular FormulaC9H12O3
Molecular Weight168.19
InChIInChI=1S/C9H12O3/c1-11-8-3-7(6-10)4-9(5-8)12-2/h3-5,10H,6H2,1-2H3
InChIKey AUDBREYGQOXIFT-UHFFFAOYSA-N
SmilesC1(CO)=CC(OC)=CC(OC)=C1
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MassMS-NW-6354 3,5-dimethoxybenzyl alcohol C9H12O3 (Mass of molecular ion: 168)
Source Temperature: 260 °C Sample Temperature: 190 °C Reservoir, 75 eV
15.0 3.9 18.0 2.5 27.0 2.7 28.0 4.9 29.0 2.7 31.0 2.7 38.0 2.5 39.0 8.0 40.0 1.5 41.0 5.5 43.0 2.1 45.0 1.2 50.0 2.7 51.0 6.0 52.0 2.5 53.0 4.4 54.0 1.4 55.0 2.7 59.0 1.8 62.0 2.1 63.0 6.0 64.0 3.0 65.0 11.1 66.0 3.8 67.0 4.1 69.0 3.8 74.0 1.1 75.0 1.1 77.0 10.4 78.0 4.1 79.0 4.4 80.0 1.1 81.0 2.7 82.0 3.5 91.0 3.4 92.0 2.9 93.0 3.7 94.0 4.6 95.0 3.1 96.0 2.9 97.0 4.4 105.0 1.6 106.0 1.1 107.0 6.3 108.0 5.0 109.0 15.3 110.0 3.0 120.0 2.3 121.0 6.2 122.0 3.4 123.0 1.2 124.0 5.4 125.0 11.0 135.0 5.5 136.0 2.1 137.0 8.6 138.0 1.7 139.0 39.5 140.0 3.7 149.0 1.5 151.0 8.6 152.0 2.5 153.0 3.1 165.0 1.6 166.0 3.6 167.0 9.5 168.0 100.0 169.0 10.1 170.0 1.1
400 MHz in CDCl3
90 MHz in CDCl3
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1H NMR 399.65 MHz C9H12O3 0.038 g : 0.5 ml CDCl3 3,5-dimethoxybenzyl alcohol 
Assign. Shift(ppm)
A 6.490 B 6.358 C 4.578 D 3.761 E 2.43
Hz ppm Int.2595.71 6.493 183 2595.10 6.492 121 2593.88 6.489 123 2593.39 6.487 188 2543.71 6.363 61 2541.39 6.357 100 2539.07 6.352 50 1832.77 4.585 112 1826.91 4.570 110 1574.22 3.938 9 1503.30 3.761 1000 1489.38 3.726 5 1430.30 3.578 9 976.08 2.442 36 970.10 2.427 80 964.12 2.412 33
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1H NMR 89.56 MHz C9 H12 O3 0.046 g : 0.5 ml CDCl3 3,5-dimethoxybenzyl alcohol Assign. Shift(ppm)
A 6.486 B 6.359 C 4.572 D 3.757 E 2.36
Hz ppm Int.582.31 6.502 68 580.00 6.477 112 571.31 6.380 37 569.06 6.354 42 409.50 4.573 109 336.50 3.758 1000 334.44 3.735 29 211.19 2.359 27
in CDCl3
KBr disc
nujol mull
4880 A,200 M,powder
