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[2,3,4,4-(2)-H]-HEXANAL

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[2,3,4,4-(2)-H]-HEXANAL
SpectraBase Compound ID 44uhXsoG6Bk
InChI InChI=1S/C6H12O/c1-2-3-4-5-6-7/h6H,2-5H2,1H3/i3D2,4D,5D
InChIKey JARKCYVAAOWBJS-CIDOUIPQSA-N
Mol Weight 104.19 g/mol
Molecular Formula C6H82H4O
Exact Mass 104.113922 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 9TBhbkIWf1M
Name [2,3,4,4-(2)-H]-HEXANAL
Compound Number 4
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C6H82H4O
InChI InChI=1S/C6H12O/c1-2-3-4-5-6-7/h6H,2-5H2,1H3/i3D2,4D,5D
InChIKey JARKCYVAAOWBJS-CIDOUIPQSA-N
Literature Reference Author M.GOESE,W.EISENREICH,E.KUPFER,P.STOHLER,W.WEBER,H.G.LEUENBER GER,A.BACHER
Literature Reference Citation J.ORG.CHEM.,66,4673(2001)
Literature Reference DOI 10.1021/jo010230b
Molecular Weight 104.185 g/mol
Solvent CDCl3
Source File Reference UWMS26795