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Diethyl 2-(((3R,4R)-6-(methoxycarbonyl)-2-oxo-4-phenyl-3,4-dihydro-2H-pyran-3-yl)methyl)malonate
SpectraBase Compound ID BhoAYMhotNY
InChI InChI=1S/C21H24O8/c1-4-27-18(22)16(19(23)28-5-2)11-15-14(13-9-7-6-8-10-13)12-17(21(25)26-3)29-20(15)24/h6-10,12,14-16H,4-5,11H2,1-3H3/t14-,15+/m0/s1
InChIKey ROHXBHSBWOKZAW-LSDHHAIUSA-N
Mol Weight 404.42 g/mol
Molecular Formula C21H24O8
Exact Mass 404.147118 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID FSRI2TaOJ66
Name Diethyl 2-(((3R,4R)-6-(methoxycarbonyl)-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 C21H24O8
InChI InChI=1S/C21H24O8/c1-4-27-18(22)16(19(23)28-5-2)11-15-14(13-9-7-6-8-10-13)12-17(21(25)26-3)29-20(15)24/h6-10,12,14-16H,4-5,11H2,1-3H3/t14-,15+/m0/s1
InChIKey ROHXBHSBWOKZAW-LSDHHAIUSA-N
Literature Reference DOI 10.1002/adsc.201700198
Molecular Weight 404.415 g/mol
SMILES c1cc(ccc1)[C@@]1(C=C(OC([C@@]1(CC(C(OCC)=O)C(OCC)=O)[H])=O)C(=O)OC)[H]
SPLASH splash10-001r-1921000000-27c1c1a767568d808d65
Source of Spectrum ASC-359-1678/SM15-6a
Wiley ID 1807570