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(E,2R,4S,6R)-2-TERT.-BUTYL-6-METHYL-4-(1'-PROPENYL)-1,3-DIOXAN-5-CARBOXYLIC-ACID
SpectraBase Compound ID V1J1iCRCwh
InChI InChI=1S/C13H22O4/c1-6-7-9-10(11(14)15)8(2)16-12(17-9)13(3,4)5/h6-10,12H,1-5H3,(H,14,15)/b7-6+/t8-,9+,10+,12-/m1/s1
InChIKey KTRCXDIYEKOPCM-RTVUKHBASA-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 7EJgVkGj9TP
Name (E,2R,4S,6R)-2-TERT.-BUTYL-6-METHYL-4-(1'-PROPENYL)-1,3-DIOXAN-5-CARBOXYLIC-ACID
CAS Registry Number 129287-57-6
Compound Number 21
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C13H22O4
InChI InChI=1S/C13H22O4/c1-6-7-9-10(11(14)15)8(2)16-12(17-9)13(3,4)5/h6-10,12H,1-5H3,(H,14,15)/b7-6+/t8-,9+,10+,12-/m1/s1
InChIKey KTRCXDIYEKOPCM-RTVUKHBASA-N
Literature Reference Author W.AMBERG,D.SEEBACH
Literature Reference Citation CHEM.BER.,123,2413(1990)
Literature Reference DOI 10.1002/cber.19901231225
Molecular Weight 242.315 g/mol
Solvent CDCl3
Source File Reference UWED12726