1-Adamantaneethanol(6240-11-5) Raman
Product Name1-Adamantaneethanol
CAS6240-11-5
Molecular FormulaC12H20O
Molecular Weight180.29
InChIInChI=1S/C12H20O/c13-2-1-12-6-9-3-10(7-12)5-11(4-9)8-12/h9-11,13H,1-8H2
InChIKey ZBIDZPHRNBZTLT-UHFFFAOYSA-N
SmilesC12(CCO)CC3CC(CC(C3)C1)C2
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MassMS-NW-6252 1-adamantaneethanol C12H20O (Mass of molecular ion: 180)
Source Temperature: 260 °C Sample Temperature: 190 °C Reservoir, 75 eV
27.0 2.3 29.0 2.1 31.0 1.7 39.0 3.7 41.0 6.8 43.0 1.0 51.0 1.0 53.0 2.7 55.0 4.1 65.0 1.8 67.0 6.6 69.0 1.8 77.0 4.8 78.0 1.6 79.0 14.8 80.0 2.0 81.0 4.8 91.0 5.8 92.0 3.5 93.0 14.1 94.0 1.9 95.0 1.3 105.0 5.7 106.0 1.3 107.0 5.7 119.0 1.1 135.0 100.0 136.0 11.2 152.0 8.6 153.0 1.0 162.0 1.1 169.0 1.0
400 MHz in CDCl3
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1H NMR 399.65 MHz C12 H20 O 0.039 g : 0.5 ml CDCl3 1-adamantaneethanol 
Assign. Shift(ppm)
A 3.701 B 1.940 C *1 1.70 D *1 1.63 E 1.524 F 1.50 G 1.382
Hz ppm Int.1488.77 3.726 39 1486.82 3.721 425 1483.03 3.711 56 1479.25 3.702 440 1478.52 3.700 290 1475.22 3.692 57 1474.00 3.689 46 1471.56 3.683 432 775.51 1.941 296 685.91 1.717 171 685.55 1.716 169 674.68 1.689 298 657.71 1.646 300 645.51 1.616 137 610.35 1.528 1000 607.79 1.521 925 600.71 1.504 68 560.30 1.402 291 556.64 1.393 45 552.61 1.383 355 548.83 1.374 49 545.04 1.364 282
in CDCl3
KBr disc
nujol mull
