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(1'S,1R,2R,3R,4S,5S)-(3-Hydroxy-2-(1'-phenylethoxy)-8-oxabicyclo[3.2.1]octa-6-ene-4-yl)pivaloate
SpectraBase Compound ID ErASI7mcVtX
InChI InChI=1S/C20H26O5/c1-12(13-8-6-5-7-9-13)23-17-14-10-11-15(24-14)18(16(17)21)25-19(22)20(2,3)4/h5-12,14-18,21H,1-4H3/t12?,14-,15+,16+,17+,18-/m1/s1
InChIKey BTWYVVVIECXMTF-XITGCFOHSA-N
Mol Weight 346.42 g/mol
Molecular Formula C20H26O5
Exact Mass 346.178024 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 22ncLA4YEbl
Name (1'S,1R,2R,3R,4S,5S)-(3-Hydroxy-2-(1'-phenylethoxy)-8-oxabicyclo[3.2.1]octa-6-ene-4-yl)pivaloate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C20H26O5
InChI InChI=1S/C20H26O5/c1-12(13-8-6-5-7-9-13)23-17-14-10-11-15(24-14)18(16(17)21)25-19(22)20(2,3)4/h5-12,14-18,21H,1-4H3/t12?,14-,15+,16+,17+,18-/m1/s1
InChIKey BTWYVVVIECXMTF-XITGCFOHSA-N
Molecular Weight 346.423 g/mol
SMILES O[C@]1([C@@](OC(c2ccccc2)C)([C@@]2(O[C@]([C@]1(OC(C(C)(C)C)=O)[H])(C=C2)[H])[H])[H])[H]
SPLASH splash10-0bti-2900000000-f56c0e1704439361cc58
Source of Spectrum QE-7-4787-22
Synonyms (1S,2S,3S,4R,5R)-3-hydroxy-4-(1-phenylethoxy)-8-oxabicyclo[3.2.1]oct-6-en-2-yl pivalate
Wiley ID 846115