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3-(2-ACETOXYETHYL)-2,2-DIMETHYL-5-OXOHEXANAL

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3-(2-ACETOXYETHYL)-2,2-DIMETHYL-5-OXOHEXANAL
SpectraBase Compound ID ACro1jORXAF
InChI InChI=1S/C12H20O4/c1-9(14)7-11(12(3,4)8-13)5-6-16-10(2)15/h8,11H,5-7H2,1-4H3
InChIKey KGJKZVMQHZRBJD-UHFFFAOYSA-N
Mol Weight 228.29 g/mol
Molecular Formula C12H20O4
Exact Mass 228.136159 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID F2BUMOvOuJ5
Name 3-(2-ACETOXYETHYL)-2,2-DIMETHYL-5-OXOHEXANAL
Compound Number 15A
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C12H20O4
InChI InChI=1S/C12H20O4/c1-9(14)7-11(12(3,4)8-13)5-6-16-10(2)15/h8,11H,5-7H2,1-4H3
InChIKey KGJKZVMQHZRBJD-UHFFFAOYSA-N
Literature Reference Author K.ANHALT,I.SPRUNG,K.SCHULZE
Literature Reference Citation MH.CHEM.,134,1593(2003)
Literature Reference DOI 10.1007/s00706-003-0040-2
Molecular Weight 228.288 g/mol
Solvent CDCl3
Source File Reference UWKP5163