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Diethyl 2-(((3R,4R)-4-(4-fluorophenyl)-6-(methoxycarbonyl)-2-oxo-3,4-dihydro-2H-pyran-3-yl)methyl)malonate
SpectraBase Compound ID DDeiDf73kIA
InChI InChI=1S/C21H23FO8/c1-4-28-18(23)16(19(24)29-5-2)10-15-14(12-6-8-13(22)9-7-12)11-17(21(26)27-3)30-20(15)25/h6-9,11,14-16H,4-5,10H2,1-3H3/t14-,15+/m0/s1
InChIKey PEKZEBMXBDWDAJ-LSDHHAIUSA-N
Mol Weight 422.41 g/mol
Molecular Formula C21H23FO8
Exact Mass 422.137696 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID eI1JCEP2tk
Name Diethyl 2-(((3R,4R)-4-(4-fluorophenyl)-6-(methoxycarbonyl)-2-oxo-3,4-dihydro-2H-pyran-3-yl)methyl)malonate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C21H23FO8
InChI InChI=1S/C21H23FO8/c1-4-28-18(23)16(19(24)29-5-2)10-15-14(12-6-8-13(22)9-7-12)11-17(21(26)27-3)30-20(15)25/h6-9,11,14-16H,4-5,10H2,1-3H3/t14-,15+/m0/s1
InChIKey PEKZEBMXBDWDAJ-LSDHHAIUSA-N
Literature Reference DOI 10.1002/adsc.201700198
Molecular Weight 422.405 g/mol
SMILES c1cc(ccc1F)[C@@]1(C=C(OC([C@@]1(CC(C(OCC)=O)C(OCC)=O)[H])=O)C(=O)OC)[H]
SPLASH splash10-000b-0920000000-00fa8bec33e10ec31df5
Source of Spectrum ASC-359-1678/SM16-6c
Wiley ID 1807572