2,5-Bis(1,1-dimethylbutyl)hydroquinone monomethyl ether(109870-95-3) 13C NMR
Molecular Formula
Molecular Weight
InChIInChI=1S/C19H32O2/c1-8-10-18(3,4)14-13-17(21-7)15(12-16(14)20)19(5,6)11-9-2/h12-13,20H,8-11H2,1-7H3
InChIKey MYGNMZZLRWDFID-UHFFFAOYSA-N
SmilesC1(OC)=CC(C(C)(C)CCC)=C(O)C=C1C(C)(C)CCC
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MassMS-IW-6136 2,5-bis(1,1-dimethylbutyl)-4-methoxyphenol C19H32O2 (Mass of molecular ion: 292)
Source Temperature: 120 °C Sample Temperature: 100 °C Direct, 75 eV
41.0 2.2 43.0 4.6 55.0 1.5 69.0 1.2 85.0 2.3 91.0 1.4 115.0 1.0 147.0 1.0 151.0 1.7 163.0 1.2 165.0 2.1 177.0 1.4 179.0 1.4 191.0 4.1 192.0 1.2 205.0 2.7 206.0 5.1 207.0 1.2 221.0 2.9 235.0 3.8 249.0 100.0 250.0 18.0 251.0 1.9 277.0 1.3 292.0 39.2 293.0 8.2 294.0 1.0
400 MHz in CDCl3
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1H NMR 399.65 MHz C19 H32 O2 0.039 g : 0.5 ml CDCl3 2,5-bis(1,1-dimethylbutyl)-4-methoxyphenol 
Assign. Shift(ppm)
A 6.707 B 6.474 C 4.36 D 3.763 E 1.74 F *1 1.355 G *1 1.281 J *2 1.08 K *2 1.00 L *3 0.837 M *3 0.806
Hz ppm Int.2680.66 6.708 166 2587.65 6.475 196 1744.63 4.366 192 1504.15 3.764 667 711.79 1.782 84 707.03 1.770 56 703.74 1.761 66 703.13 1.760 66 699.22 1.750 60 694.95 1.739 105 693.12 1.735 100 688.35 1.723 58 685.06 1.715 64 684.33 1.713 64 680.54 1.703 56 676.15 1.692 90 541.63 1.356 1000 512.08 1.282 988 443.12 1.109 39 438.60 1.098 31 435.67 1.091 52 431.27 1.080 42 426.64 1.068 50 423.83 1.061 35 418.95 1.049 43 414.43 1.037 43 411.99 1.031 30 409.91 1.026 34 406.98 1.019 51 402.59 1.008 42 398.68 0.998 46 398.07 0.997 47 395.63 0.990 31 395.02 0.989 30 391.36 0.980 32 390.26 0.977 36 341.80 0.856 154 334.59 0.838 284 329.35 0.825 170 327.27 0.819 138 322.27 0.807 266 314.82 0.788 97
in CDCl3
KBr disc
nujol mull
