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4-keto-3-(phenylseleno)cyclohexane-1,1,3-tricarboxylic acid triethyl ester
SpectraBase Compound ID 2S8WrpJDZBM
InChI InChI=1S/C21H26O7Se/c1-4-26-17(23)20(18(24)27-5-2)13-12-16(22)21(14-20,19(25)28-6-3)29-15-10-8-7-9-11-15/h7-11H,4-6,12-14H2,1-3H3
InChIKey JHBPNWCVHSCKBW-UHFFFAOYSA-N
Mol Weight 469.4 g/mol
Molecular Formula C21H26O7Se
Exact Mass 470.084375 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 27wmBgeyH9N
Name 4-keto-3-(phenylseleno)cyclohexane-1,1,3-tricarboxylic acid triethyl ester
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C21H26O7Se
InChI InChI=1S/C21H26O7Se/c1-4-26-17(23)20(18(24)27-5-2)13-12-16(22)21(14-20,19(25)28-6-3)29-15-10-8-7-9-11-15/h7-11H,4-6,12-14H2,1-3H3
InChIKey JHBPNWCVHSCKBW-UHFFFAOYSA-N
Molecular Weight 469.404 g/mol
SMILES C1(CC(C(=O)OCC)(C(=O)OCC)CCC1=O)(C(=O)OCC)[Se]c1ccccc1
SPLASH splash10-014i-0962100000-1cda12419287bcefe93e
Source of Spectrum J-59-6714-6
Synonyms 4-Oxo-3-(phenylseleno)cyclohexane-1,1,3-tricarboxylic acid triethyl ester Triethyl 4-oxidanylidene-3-phenylselanyl-cyclohexane-1,1,3-tricarboxylate Triethyl 4-oxo-3-phenylselanyl-cyclohexane-1,1,3-tricarboxylate
Wiley ID 1392733