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Diethyl 2-(((3R,4R)-4-(benzyloxy)-6-(ethoxycarbonyl)-2-oxo-3,4-dihydro-2H-pyran-3-yl)methyl)malonate
SpectraBase Compound ID 3PuIDhuMuhe
InChI InChI=1S/C23H28O9/c1-4-28-20(24)17(21(25)29-5-2)12-16-18(31-14-15-10-8-7-9-11-15)13-19(32-22(16)26)23(27)30-6-3/h7-11,13,16-18H,4-6,12,14H2,1-3H3/t16-,18-/m1/s1
InChIKey CQCRPFZHUFVFOL-SJLPKXTDSA-N
Mol Weight 448.47 g/mol
Molecular Formula C23H28O9
Exact Mass 448.173332 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID KsoXOzsk8dU
Name Diethyl 2-(((3R,4R)-4-(benzyloxy)-6-(ethoxycarbonyl)-2-oxo-3,4-dihydro-2H-pyran-3-yl)methyl)malonate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C23H28O9
InChI InChI=1S/C23H28O9/c1-4-28-20(24)17(21(25)29-5-2)12-16-18(31-14-15-10-8-7-9-11-15)13-19(32-22(16)26)23(27)30-6-3/h7-11,13,16-18H,4-6,12,14H2,1-3H3/t16-,18-/m1/s1
InChIKey CQCRPFZHUFVFOL-SJLPKXTDSA-N
Literature Reference DOI 10.1002/adsc.201700198
Molecular Weight 448.468 g/mol
SMILES [C@]1(OCc2ccccc2)(C=C(OC([C@@]1(CC(C(OCC)=O)C(OCC)=O)[H])=O)C(=O)OCC)[H]
SPLASH splash10-004o-7090000000-a4f3b2de955a76eb548b
Source of Spectrum ASC-359-1678/SM21-6m
Wiley ID 1807584