4-N-DODECYL-O-CRESOL(29665-59-6) IR1
Product Name4-N-DODECYL-O-CRESOL
CAS29665-59-6
Molecular FormulaC19H32O
Molecular Weight276.46
InChIInChI=1S/C19H32O/c1-3-4-5-6-7-8-9-10-11-12-13-18-14-15-19(20)17(2)16-18/h14-16,20H,3-13H2,1-2H3
InChIKey RJLWSJUUDKAMPQ-UHFFFAOYSA-N
SmilesC1(O)=CC=C(CCCCCCCCCCCC)C=C1C
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MassMS-IW-6477 4-dodecyl-o-cresol C19H32O (Mass of molecular ion: 276)
Source Temperature: 140 °C Sample Temperature: 120 °C Direct, 75 eV
18.0 3.7 29.0 1.0 41.0 2.1 43.0 1.8 55.0 1.5 77.0 2.1 91.0 2.3 107.0 1.3 108.0 1.1 120.0 1.3 121.0 100.0 122.0 11.4 134.0 1.8 276.0 87.5 277.0 18.6 278.0 2.0
400 MHz in CDCl3
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1H NMR 399.65 MHz C19 H32 O 0.039 g : 0.5 ml CDCl3 4-dodecyl-o-cresol 
Assign. Shift(ppm)
A 6.921 B 6.870 C 6.670 D 4.61 E 2.448 F 2.219 G 1.548 J 1.29 K 1.25 L 0.878
Hz ppm Int.2767.82 6.926 84 2766.24 6.922 94 2750.98 6.884 50 2748.90 6.879 42 2742.80 6.864 58 2740.72 6.858 50 2669.43 6.680 121 2661.38 6.660 99 1842.90 4.612 241 1002.20 2.508 88 994.63 2.489 107 986.69 2.469 92 887.08 2.220 541 627.44 1.570 41 620.12 1.552 56 615.48 1.541 36 612.67 1.534 42 612.43 1.533 42 518.07 1.297 201 512.70 1.283 216 501.46 1.255 1000 358.15 0.897 112 351.44 0.880 309 344.36 0.862 127
in CDCl3
KBr disc
nujol mull
