1-Bromoadamantane(768-90-1) IR2
Product Name1-Bromoadamantane
CAS768-90-1
Molecular FormulaC10H15Br
Molecular Weight215.13
InChIInChI=1S/C10H15Br/c11-10-4-7-1-8(5-10)3-9(2-7)6-10/h7-9H,1-6H2
InChIKey VQHPRVYDKRESCL-UHFFFAOYSA-N
SmilesC12(Br)CC3CC(CC(C3)C1)C2
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MassMS-KW-0260 1-bromotricyclo(3.3.1.1(3,7))decane C10H15Br (Mass of molecular ion: 214)
Source Temperature: 230 °C Sample Temperature: 150 °C Reservoir, 75 eV
27.0 2.8 29.0 1.4 39.0 5.6 41.0 6.0 43.0 1.0 51.0 1.9 52.0 1.1 53.0 3.1 55.0 4.3 65.0 3.5 66.0 1.6 67.0 7.7 69.0 2.1 77.0 6.6 78.0 2.4 79.0 20.3 80.0 2.0 81.0 6.0 91.0 5.8 92.0 2.0 93.0 16.6 94.0 2.0 95.0 4.5 105.0 1.2 107.0 5.8 135.0 100.0 136.0 11.3 152.0 1.0
90 MHz in CDCl3
400 MHz in CDCl3
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1H NMR 89.56 MHz C10 H15 Br 0.046 g : 0.5 ml CDCl3 1-bromotricyclo(3.3.1.1(3,7))decane 
Assign. Shift(ppm)
A 2.363 B 2.10 C 1.73 J(A,B)=3.0HZ. J(B,C)=3.0HZ.
Hz ppm Int.213.38 2.383 768 210.38 2.350 1000 200.81 2.243 50 188.25 2.102 263 157.88 1.763 578 155.00 1.731 871 151.94 1.697 471
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1H NMR 399.65 MHz C10H15Br 0.040 g : 0.5 ml CDCl3 1-bromoadamantane Assign. Shift(ppm)
A 2.367 B 2.104 C 1.73
Hz ppm Int.947.51 2.371 1000 944.22 2.362 971 841.07 2.104 284 694.95 1.739 683 691.90 1.731 964 688.48 1.723 563
in CDCl3
KBr disc
nujol mull
4880 A,200 M,powder
