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METHYL-(1S*,2R*,4R*,6S*,7S*,9S*)-2-HYDROXY-5-OXA-10-TRICYCLO-[6.3.0.0-(4,6)]-UNDECYL-METHANOATE
SpectraBase Compound ID BwmbVC4OiBy
InChI InChI=1S/C12H18O4/c1-15-12(14)7-2-6-4-10-11(16-10)5-9(13)8(6)3-7/h6-11,13H,2-5H2,1H3/t6-,7-,8-,9+,10-,11+/m0/s1
InChIKey ZSPDSYGTFGEVGU-XSOQRLTHSA-N
Mol Weight 226.27 g/mol
Molecular Formula C12H18O4
Exact Mass 226.120509 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 3ZtkjlraCIn
Name METHYL-(1S*,2R*,4R*,6S*,7S*,9S*)-2-HYDROXY-5-OXA-10-TRICYCLO-[6.3.0.0-(4,6)]-UNDECYL-METHANOATE
Compound Number 14
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C12H18O4
InChI InChI=1S/C12H18O4/c1-15-12(14)7-2-6-4-10-11(16-10)5-9(13)8(6)3-7/h6-11,13H,2-5H2,1H3/t6-,7-,8-,9+,10-,11+/m0/s1
InChIKey ZSPDSYGTFGEVGU-XSOQRLTHSA-N
Literature Reference Author Y.CHEN,J.K.SNYDER
Literature Reference Citation J.ORG.CHEM.,66,6943(2001)
Literature Reference DOI 10.1021/jo010269g
Molecular Weight 226.273 g/mol
Solvent CDCl3
Source File Reference UWVN26425