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Diethyl (4R)-trans-2-phenyl-2-(2-oxocyclohexyl)-1,3-dioxolane-4,5-dicarboxylate
SpectraBase Compound ID 8eD7ODH2wO8
InChI InChI=1S/C21H26O7/c1-3-25-19(23)17-18(20(24)26-4-2)28-21(27-17,14-10-6-5-7-11-14)15-12-8-9-13-16(15)22/h5-7,10-11,15,17-18H,3-4,8-9,12-13H2,1-2H3/t15?,17-,18+,21+
InChIKey QZOMNCSYPDQBMH-VUOLUFRPSA-N
Mol Weight 390.43 g/mol
Molecular Formula C21H26O7
Exact Mass 390.167853 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 8ALCA0wqSyf
Name Diethyl (4R)-trans-2-phenyl-2-(2-oxocyclohexyl)-1,3-dioxolane-4,5-dicarboxylate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C21H26O7
InChI InChI=1S/C21H26O7/c1-3-25-19(23)17-18(20(24)26-4-2)28-21(27-17,14-10-6-5-7-11-14)15-12-8-9-13-16(15)22/h5-7,10-11,15,17-18H,3-4,8-9,12-13H2,1-2H3/t15?,17-,18+,21+
InChIKey QZOMNCSYPDQBMH-VUOLUFRPSA-N
Molecular Weight 390.432 g/mol
SMILES [C@]1(O[C@](C(=O)OCC)([C@@](O1)(C(=O)OCC)[H])[H])(C1C(=O)CCCC1)c1ccccc1
SPLASH splash10-052f-0590000000-319d4711a8b0c31c0ad1
Source of Spectrum F-48-1311-5
Synonyms Diethyl (4R,5S)-2-(2-oxocyclohexyl)-2-phenyl-1,3-dioxolane-4,5-dicarboxylate
Wiley ID 1364800