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4-HYDROXY-5-OXO-1-HEXANAL;ISOMER-#1;CYClIC-FORM
SpectraBase Compound ID 1TAgWeM8Fxh
InChI InChI=1S/C6H10O3/c1-4(7)5-2-3-6(8)9-5/h5-6,8H,2-3H2,1H3
InChIKey LABXFDBKTXRELI-UHFFFAOYSA-N
Mol Weight 130.14 g/mol
Molecular Formula C6H10O3
Exact Mass 130.062994 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID GCOlEtH0DA4
Name 4-HYDROXY-5-OXO-1-HEXANAL;ISOMER-#1;CYClIC-FORM
Compound Number 42
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C6H10O3
InChI InChI=1S/C6H10O3/c1-4(7)5-2-3-6(8)9-5/h5-6,8H,2-3H2,1H3
InChIKey LABXFDBKTXRELI-UHFFFAOYSA-N
Literature Reference Author E.W.BAXTER,A.B.REITZ
Literature Reference Citation J.ORG.CHEM.,59,3175(1994)
Literature Reference DOI 10.1021/jo00090a040
Molecular Weight 130.144 g/mol
Solvent CDCl3
Source File Reference UWCP8003