ORTHO-DI-N-BUTOXYBENZENE(20367-35-5) 1H NMR
Product NameORTHO-DI-N-BUTOXYBENZENE
CAS20367-35-5
Molecular FormulaC14H22O2
Molecular Weight222.32
InChIInChI=1S/C14H22O2/c1-3-5-11-15-13-9-7-8-10-14(13)16-12-6-4-2/h7-10H,3-6,11-12H2,1-2H3
InChIKey GHKFGRVGAQYZNT-UHFFFAOYSA-N
SmilesC1(OCCCC)=CC=CC=C1OCCCC
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MassMS-IW-3582 o-dibutoxybenzene C14H22O2 (Mass of molecular ion: 222)
Source Temperature: 220 °C Sample Temperature: 160 °C Reservoir, 75 eV
27.0 1.9 29.0 8.3 39.0 1.7 41.0 6.9 52.0 1.5 53.0 1.1 55.0 2.4 57.0 7.4 64.0 1.2 65.0 1.5 81.0 2.7 95.0 1.1 109.0 3.5 110.0 100.0 111.0 7.3 121.0 2.1 123.0 1.1 166.0 7.6 222.0 15.4 223.0 2.4
400 MHz in CDCl3
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1H NMR 399.65 MHz C14 H22 O2 0.05 ml : 0.5 ml CDCl3 o-dibutoxybenzene 
Assign. Shift(ppm)
A 6.87 B 3.979 C 1.783 D 1.499 E 0.968
Hz ppm Int.2755.25 6.895 32 2749.02 6.879 89 2745.61 6.871 706 2741.58 6.860 101 2735.35 6.845 37 1596.92 3.996 397 1590.33 3.980 688 1583.74 3.963 385 727.66 1.821 89 721.19 1.805 231 718.14 1.797 82 714.72 1.789 238 713.75 1.786 252 712.40 1.783 166 711.55 1.781 162 708.13 1.772 102 705.93 1.767 236 699.34 1.750 113 617.55 1.546 58 610.11 1.527 186 604.25 1.512 115 602.54 1.508 264 596.92 1.494 117 594.97 1.489 268 589.48 1.475 55 587.52 1.471 177 580.20 1.452 57 394.04 0.986 624 386.60 0.968 1000 379.15 0.949 530
in CDCl3
liquid film
