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3-(2-ACETOXYETHYL)-4,4-DIMETHYL-5-OXOHEPTANAL
SpectraBase Compound ID 1oPUPb1TdM1
InChI InChI=1S/C13H22O4/c1-5-12(16)13(3,4)11(6-8-14)7-9-17-10(2)15/h8,11H,5-7,9H2,1-4H3
InChIKey MTDHLOXSVWKJRR-UHFFFAOYSA-N
Mol Weight 242.31 g/mol
Molecular Formula C13H22O4
Exact Mass 242.151809 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID HeoWskuXnNR
Name 3-(2-ACETOXYETHYL)-4,4-DIMETHYL-5-OXOHEPTANAL
Compound Number 11D
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C13H22O4
InChI InChI=1S/C13H22O4/c1-5-12(16)13(3,4)11(6-8-14)7-9-17-10(2)15/h8,11H,5-7,9H2,1-4H3
InChIKey MTDHLOXSVWKJRR-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 242.315 g/mol
Solvent CDCl3
Source File Reference UWKP5158