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Diethyl 2-(((3R,4R)-6-(ethoxycarbonyl)-2-oxo-4-phenyl-3,4-dihydro-2H-pyran-3-yl)methyl)malonate
SpectraBase Compound ID JfX7tLbefpS
InChI InChI=1S/C22H26O8/c1-4-27-19(23)17(20(24)28-5-2)12-16-15(14-10-8-7-9-11-14)13-18(30-21(16)25)22(26)29-6-3/h7-11,13,15-17H,4-6,12H2,1-3H3/t15-,16+/m0/s1
InChIKey NBTQONFMGQLGPZ-JKSUJKDBSA-N
Mol Weight 418.44 g/mol
Molecular Formula C22H26O8
Exact Mass 418.162768 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 4AAwsLmVf6
Name Diethyl 2-(((3R,4R)-6-(ethoxycarbonyl)-2-oxo-4-phenyl-3,4-dihydro-2H-pyran-3-yl)methyl)malonate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C22H26O8
InChI InChI=1S/C22H26O8/c1-4-27-19(23)17(20(24)28-5-2)12-16-15(14-10-8-7-9-11-14)13-18(30-21(16)25)22(26)29-6-3/h7-11,13,15-17H,4-6,12H2,1-3H3/t15-,16+/m0/s1
InChIKey NBTQONFMGQLGPZ-JKSUJKDBSA-N
Literature Reference DOI 10.1002/adsc.201700198
Molecular Weight 418.442 g/mol
SMILES c1cc(ccc1)[C@@]1(C=C(OC([C@@]1(CC(C(OCC)=O)C(OCC)=O)[H])=O)C(=O)OCC)[H]
SPLASH splash10-001r-1910000000-7f436cecf99a6d92cd91
Source of Spectrum ASC-359-1678/SM16-6b
Wiley ID 1807571