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[1-(2'-METHYLPROPOXY)-2-HYDROXY-2-METHYLPROPOXY]-BUTANE;2-METHYLACETALDEHYDE-N-BUTYL-ISOBUTYL-ACETAL
SpectraBase Compound ID I7FD6w7RXwb
InChI InChI=1S/C12H26O3/c1-6-7-8-14-11(12(4,5)13)15-9-10(2)3/h10-11,13H,6-9H2,1-5H3
InChIKey XDNTYWKFQWLSGQ-UHFFFAOYSA-N
Mol Weight 218.34 g/mol
Molecular Formula C12H26O3
Exact Mass 218.188195 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 8FSLBrD097u
Name [1-(2'-METHYLPROPOXY)-2-HYDROXY-2-METHYLPROPOXY]-BUTANE;2-METHYLACETALDEHYDE-N-BUTYL-ISOBUTYL-ACETAL
Compound Number 1
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C12H26O3
InChI InChI=1S/C12H26O3/c1-6-7-8-14-11(12(4,5)13)15-9-10(2)3/h10-11,13H,6-9H2,1-5H3
InChIKey XDNTYWKFQWLSGQ-UHFFFAOYSA-N
Literature Reference Author R.D.NYS,N.KUMAR,K.A.SHARARA,S.SRINIVASAN,G.BALL,S.KJELLBERG
Literature Reference Citation J.NAT.PROD.,64,531(2001)
Literature Reference DOI 10.1021/np000512r
Molecular Weight 218.337 g/mol
Solvent CDCl3
Source File Reference UWRU9391