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Product Name2,3,3,4-TETRAMETHYLPENTANE
CAS16747-38-9
Molecular FormulaC9H20
Molecular Weight128.26
InChIInChI=1S/C9H20/c1-7(2)9(5,6)8(3)4/h7-8H,1-6H3
InChIKey JLCYYQOQSAMWTA-UHFFFAOYSA-N
SmilesCC(C)C(C)(C)C(C)C
MS
1HNMR
13CNMR
IR1
Mass
MS-NW-4581 2,3,3,4-tetramethylpentane C9H20 (Mass of molecular ion: 128)
Source Temperature: 280 °C Sample Temperature: 180 °C Reservoir, 75 eV
27.0 6.5 29.0 4.5 39.0 5.9 41.0 21.0 42.0 2.6 43.0 100.0 44.0 3.6 53.0 1.8 55.0 6.4 56.0 1.4 57.0 36.9 58.0 1.7 69.0 17.3 70.0 2.0 71.0 3.8 84.0 27.7 85.0 74.8 86.0 5.2
90 MHz in CDCl3
Assign. Shift(ppm) A 1.660 B 0.806 C 0.681 J(A,B)=6.884HZ. THE SHIFT VALUES WERE OBTAINED AT 400MHZ.
Hz ppm Int.
155.81 1.740 27 149.38 1.668 33 142.31 1.589 38 135.81 1.517 23 75.50 0.844 496 68.88 0.770 367 63.06 0.705 24 61.13 0.683 1000 59.13 0.661 40
in CDCl3
liquid film
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