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3,5-DIMETHYLHEPTANE
SpectraBase Compound ID He358kp15Fg
InChI InChI=1S/C9H20/c1-5-8(3)7-9(4)6-2/h8-9H,5-7H2,1-4H3/t8-,9-/m0/s1
InChIKey DZJTZGHZAWTWGA-IUCAKERBSA-N
Mol Weight 128.26 g/mol
Molecular Formula C9H20
Exact Mass 128.156501 g/mol
Enantiomer InChIKey DZJTZGHZAWTWGA-RKDXNWHRSA-N
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Solvent Unknown
Title Journal or Book Year
Assignment of Relative Configuration to Acyclic Compounds Based on 13C NMR Shifts. A Density Functional and Molecular Mechanics Study The Journal of Organic Chemistry 1996

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