1-Bromoadamantane(768-90-1) 13C NMR
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
400 MHz in CDCl3
90 MHz in CDCl3
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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
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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
in CDCl3
KBr disc
nujol mull
4880 A,200 M,powder
