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4-CHLORO-2-METHYL-1-BUTENE;(VITAMIN-D-DERIVATIVE)
SpectraBase Compound ID 6emh3BjSYKC
InChI InChI=1S/C5H9Cl/c1-5(2)3-4-6/h1,3-4H2,2H3
InChIKey LGMPVUDVTHHFDR-UHFFFAOYSA-N
Mol Weight 104.58 g/mol
Molecular Formula C5H9Cl
Exact Mass 104.039278 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 163b2qWwxzS
Name 4-CHLORO-2-METHYL-1-BUTENE;(VITAMIN-D-DERIVATIVE)
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C5H9Cl
InChI InChI=1S/C5H9Cl/c1-5(2)3-4-6/h1,3-4H2,2H3
InChIKey LGMPVUDVTHHFDR-UHFFFAOYSA-N
Literature Reference Author S.A.BARRACK,R.A.GIBBS,W.H.OKAMURA
Literature Reference Citation J.ORG.CHEM.,53,1790(1988)
Literature Reference DOI 10.1021/jo00243a035
Molecular Weight 104.579 g/mol
Solvent CDCl3
Source File Reference UWWR5096