4-N-DODECYLRESORCINOL(24305-56-4) Raman
Product Name4-N-DODECYLRESORCINOL
CAS24305-56-4
Molecular FormulaC18H30O2
Molecular Weight278.43
InChIInChI=1S/C18H30O2/c1-2-3-4-5-6-7-8-9-10-11-12-16-13-14-17(19)15-18(16)20/h13-15,19-20H,2-12H2,1H3
InChIKey JJWVPHWHEGQZOE-UHFFFAOYSA-N
SmilesC1(O)=CC=C(CCCCCCCCCCCC)C(O)=C1
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MassMS-NW-6338 4-dodecylresorcinol C18H30O2 (Mass of molecular ion: 278)
Source Temperature: 180 °C Sample Temperature: 120 °C Direct, 75 eV
27.0 5.3 28.0 1.2 29.0 10.7 39.0 4.3 41.0 17.3 42.0 2.5 43.0 13.9 51.0 1.2 53.0 2.2 55.0 4.7 57.0 2.7 65.0 2.3 66.0 1.9 67.0 5.0 69.0 2.5 77.0 3.5 79.0 1.3 81.0 1.2 91.0 1.3 94.0 1.6 95.0 3.5 107.0 1.4 110.0 1.4 123.0 100.0 124.0 6.2 136.0 3.0 137.0 1.1 149.0 1.7 278.0 14.8 279.0 2.3
400 MHz at 50C
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1H NMR 399.65 MHz C18 H30 O2 0.040 g : 0.5 ml CDCl3 at 50 C 4-dodecylresorcinol 
Assign. Shift(ppm)
A 6.925 B 6.336 C 6.295 D *1 4.82 E *1 4.78 F 2.497 G 1.556 J 1.31 K 1.26 L 0.878
Hz ppm Int.2771.85 6.936 97 2763.79 6.916 105 2537.72 6.350 71 2535.28 6.344 91 2529.66 6.330 62 2527.10 6.324 91 2516.97 6.298 145 2514.65 6.293 111 1925.78 4.819 62 1908.45 4.776 83 1005.86 2.517 86 998.29 2.498 106 990.48 2.479 96 630.00 1.577 33 622.80 1.559 53 615.23 1.540 43 522.46 1.308 125 513.67 1.286 102 503.66 1.261 1000 358.15 0.897 97 351.44 0.880 340 344.48 0.862 126
in CDCl3
KBr disc
nujol mull
