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Diethyl 2-(((3R,4R)-6-(methoxycarbonyl)-2-oxo-4-(m-tolyl)-3,4-dihydro-2H-pyran-3-yl)methyl)malonate
SpectraBase Compound ID LY79BloTLjj
InChI InChI=1S/C22H26O8/c1-5-28-19(23)17(20(24)29-6-2)11-16-15(14-9-7-8-13(3)10-14)12-18(22(26)27-4)30-21(16)25/h7-10,12,15-17H,5-6,11H2,1-4H3/t15-,16+/m0/s1
InChIKey SGBJPLMZCBEFJH-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 KplYEZl7mUk
Name Diethyl 2-(((3R,4R)-6-(methoxycarbonyl)-2-oxo-4-(m-tolyl)-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/c1-5-28-19(23)17(20(24)29-6-2)11-16-15(14-9-7-8-13(3)10-14)12-18(22(26)27-4)30-21(16)25/h7-10,12,15-17H,5-6,11H2,1-4H3/t15-,16+/m0/s1
InChIKey SGBJPLMZCBEFJH-JKSUJKDBSA-N
Literature Reference DOI 10.1002/adsc.201700198
Molecular Weight 418.442 g/mol
SMILES c1(cc(ccc1)[C@@]1(C=C(OC([C@@]1(CC(C(OCC)=O)C(OCC)=O)[H])=O)C(=O)OC)[H])C
SPLASH splash10-000b-0920000000-eab99263cf5b927c2cec
Source of Spectrum ASC-359-1678/SM17-6f
Wiley ID 1807575