1-Bromo-3-chloro-2-methylpropane(6974-77-2) IR1
Product Name1-Bromo-3-chloro-2-methylpropane
CAS6974-77-2
Molecular FormulaC4H8BrCl
Molecular Weight171.46
InChIInChI=1S/C4H8BrCl/c1-4(2-5)3-6/h4H,2-3H2,1H3
InChIKey ZKDOQFPDSUOLGF-UHFFFAOYSA-N
SmilesC(Br)C(C)CCl
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MassMS-NW-0896 1-bromo-3-chloro-2-methylpropane C4H8BrCl (Mass of molecular ion: 170)
Source Temperature: 280 °C Sample Temperature: 150 °C Reservoir, 75 eV
15.0 1.4 26.0 2.7 27.0 16.0 28.0 2.5 29.0 16.5 36.0 1.2 37.0 2.1 38.0 4.6 39.0 31.8 40.0 3.4 41.0 76.1 42.0 12.8 49.0 8.1 50.0 2.1 51.0 2.7 53.0 7.8 54.0 4.5 55.0 100.0 56.0 5.6 62.0 1.8 63.0 6.6 65.0 1.9 75.0 7.7 76.0 1.3 77.0 5.5 79.0 1.1 80.0 1.0 81.0 1.0 82.0 1.0 89.0 1.1 90.0 5.9 91.0 87.7 92.0 5.7 93.0 28.3 94.0 1.3 95.0 3.6 119.0 1.0 121.0 18.0 123.0 16.8 170.0 7.1 172.0 9.0 174.0 2.1
90 MHz in CDCl3
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1H NMR 89.56 MHz C4 H8 Br Cl 0.04 ml : 0.5 ml CDCl3 1-bromo-3-chloro-2-methylpropane 
Assign. Shift(ppm)
A *1 3.63 B *1 3.56 C *2 3.51 D *2 3.47 E 2.20 F 1.135 A,B,C AND D WERE CONFIRMED BY LAOCN PROGRAM. J(A,B)=-11HZ, J(A,E)=5.5HZ, J(B,E)=5.8HZ, J(C,D)=-10.2HZ, J(C,E)=5.4HZ, J(D,E)=5.6HZ
Hz ppm Int.324.75 3.627 413 323.94 3.618 428 319.25 3.565 417 318.19 3.553 454 315.63 3.525 408 315.06 3.518 430 313.00 3.495 32 310.25 3.465 398 309.50 3.456 442 307.25 3.431 38 206.13 2.302 46 200.44 2.239 63 199.44 2.227 54 194.94 2.177 50 193.81 2.165 65 192.94 2.155 32 188.19 2.102 45 187.31 2.092 36 104.69 1.169 1000 98.00 1.095 800
in CDCl3
CCl4 solution
liquid film
4880 A,200 M,liquid
