1-Adamantanol(768-95-6) IR1
Product Name1-Adamantanol
CAS768-95-6
Molecular FormulaC10H16O
Molecular Weight152.23
InChIInChI=1S/C10H16O/c11-10-4-7-1-8(5-10)3-9(2-7)6-10/h7-9,11H,1-6H2
InChIKey VLLNJDMHDJRNFK-UHFFFAOYSA-N
SmilesC12(O)CC3CC(CC(C3)C1)C2
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MassMS-NW-7223 1-adamantanol C10H16O (Mass of molecular ion: 152)
Source Temperature: 210 °C Sample Temperature: 190 °C Reservoir, 75 eV
27.0 2.7 29.0 1.8 39.0 4.9 40.0 1.0 41.0 6.9 43.0 2.8 51.0 1.1 53.0 2.5 55.0 2.8 65.0 1.5 66.0 1.0 67.0 3.8 68.0 1.8 69.0 1.3 77.0 4.8 78.0 1.0 79.0 5.2 81.0 2.0 91.0 1.9 93.0 1.6 94.0 10.6 95.0 100.0 96.0 8.5 109.0 4.6 152.0 21.5 153.0 2.5
400 MHz in CDCl3
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1H NMR 399.65 MHz C10 H16 O 0.040 g : 0.5 ml CDCl3 1-adamantanol 
Assign. Shift(ppm)
A 2.137 B 1.715 C 1.70 D *1 1.63 E *1 1.60
Hz ppm Int.854.25 2.138 297 687.13 1.720 1000 684.20 1.712 933 681.15 1.705 562 661.62 1.656 101 649.29 1.625 357 641.48 1.606 365 629.39 1.575 98
in CDCl3
KBr disc
nujol mull
4880 A,200 M,powder
