2,3-Dimethyl-1-butene(563-78-0) Raman
Product Name2,3-Dimethyl-1-butene
CAS563-78-0
Molecular FormulaC6H12
Molecular Weight84.16
InChIInChI=1S/C6H12/c1-5(2)6(3)4/h6H,1H2,2-4H3
InChIKey OWWIWYDDISJUMY-UHFFFAOYSA-N
SmilesC=C(C)C(C)C
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MassMS-NW-9062 2,3-dimethyl-1-butene C6H12 (Mass of molecular ion: 84)
Source Temperature: 260 °C Sample Temperature: 160 °C Reservoir, 75 eV
27.0 8.5 29.0 3.6 38.0 1.6 39.0 17.3 40.0 3.6 41.0 100.0 42.0 8.9 43.0 6.9 50.0 1.1 51.0 1.8 53.0 5.6 54.0 1.1 55.0 9.1 56.0 7.0 67.0 5.1 68.0 1.0 69.0 99.9 70.0 5.6 83.0 1.2 84.0 34.7 85.0 2.4
90 MHz in CDCl3
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1H NMR 89.56 MHz C6 H12 0.04 ml : 0.5 ml CDCl3 2,3-dimethyl-1-butene 
Assign. Shift(ppm)
A 4.66 B 2.245 C 1.703 D 1.023 J(B,D)=6.8HZ.
Hz ppm Int.421.44 4.706 30 420.50 4.696 51 419.31 4.682 111 418.38 4.672 163 417.44 4.662 169 415.94 4.645 98 415.56 4.641 99 414.75 4.631 57 414.00 4.623 50 209.06 2.335 25 202.13 2.257 37 195.44 2.183 32 153.69 1.717 289 152.69 1.705 431 151.75 1.695 318 94.69 1.058 1000 90.00 1.005 22 87.94 0.982 811
in CDCl3
liquid film
