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Diethyl 4,5-Dioxo-7-(phenylseleno)-1,2,3,4,4a,5,8,8a-octahydronaphthalene-1,1-dicarboxylate
SpectraBase Compound ID BqS95pw1YSh
InChI InChI=1S/C22H24O6S/c1-3-27-20(25)22(21(26)28-4-2)11-10-17(23)19-16(22)12-15(13-18(19)24)29-14-8-6-5-7-9-14/h5-9,13,16,23H,3-4,10-12H2,1-2H3
InChIKey OWNGHRAUFDGZRT-UHFFFAOYSA-N
Mol Weight 416.49 g/mol
Molecular Formula C22H24O6S
Exact Mass 416.12936 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID ANaTyOe1YyS
Name Diethyl 4,5-Dioxo-7-(phenylseleno)-1,2,3,4,4a,5,8,8a-octahydronaphthalene-1,1-dicarboxylate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C22H24O6S
InChI InChI=1S/C22H24O6S/c1-3-27-20(25)22(21(26)28-4-2)11-10-17(23)19-16(22)12-15(13-18(19)24)29-14-8-6-5-7-9-14/h5-9,13,16,23H,3-4,10-12H2,1-2H3
InChIKey OWNGHRAUFDGZRT-UHFFFAOYSA-N
Molecular Weight 416.488 g/mol
SMILES OC=1CCC(C2C1C(=O)C=C(C2)Sc1ccccc1)(C(=O)OCC)C(=O)OCC
SPLASH splash10-0006-0090300000-856657f6d89cac7f8662
Source of Spectrum J-59-6714-17
Synonyms Diethyl 4-hydroxy-5-oxo-7-(phenylsulfanyl)-3,5,8,8a-tetrahydro-2H-naphthalene-1,1-dicarboxylate
Wiley ID 1376301