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Ethyl (1RS,2SR,4SR,5RS)-2,4-Dihydroxy-2-(3-furyl)-5-methyl-5-phenylselanylcyclohexanecarboxylate
SpectraBase Compound ID 6vVCLCVwquB
InChI InChI=1S/C20H24O5Se/c1-3-25-18(22)16-11-19(2,26-15-7-5-4-6-8-15)17(21)12-20(16,23)14-9-10-24-13-14/h4-10,13,16-17,21,23H,3,11-12H2,1-2H3/t16-,17-,19+,20+/m0/s1
InChIKey ADQQMNJPNXKYNN-RAUXBKROSA-N
Mol Weight 423.38 g/mol
Molecular Formula C20H24O5Se
Exact Mass 424.078896 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 6WH0NxENxWf
Name Ethyl (1RS,2SR,4SR,5RS)-2,4-Dihydroxy-2-(3-furyl)-5-methyl-5-phenylselanylcyclohexanecarboxylate
Comments Less than 3 mono-isotopic peaks
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C20H24O5Se
InChI InChI=1S/C20H24O5Se/c1-3-25-18(22)16-11-19(2,26-15-7-5-4-6-8-15)17(21)12-20(16,23)14-9-10-24-13-14/h4-10,13,16-17,21,23H,3,11-12H2,1-2H3/t16-,17-,19+,20+/m0/s1
InChIKey ADQQMNJPNXKYNN-RAUXBKROSA-N
Molecular Weight 423.379 g/mol
SMILES O[C@@]1([C@@](C[C@]([C@@](C1)(c1cocc1)O)(C(=O)OCC)[H])([Se]c1ccccc1)C)[H]
SPLASH splash10-0002-0090000000-05c5cf084b232fbeada1
Source of Spectrum KC-0-387-25
Synonyms ethyl 2-(3-furyl)-2,4-dihydroxy-5-methyl-5-(phenylselanyl)cyclohexanecarboxylate
Wiley ID 787219