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Bis(1,1-dimethylethyl) p-Methoxybenzyl 4-Oxo-3-(phenylselenyl)cyclohexane-1,1,3-tricarboxylate
SpectraBase Compound ID KooIwPkDetu
InChI InChI=1S/C31H38O8Se/c1-28(2,3)38-26(34)30(25(33)37-19-21-13-15-22(36-7)16-14-21)18-17-24(32)31(20-30,27(35)39-29(4,5)6)40-23-11-9-8-10-12-23/h8-16H,17-20H2,1-7H3
InChIKey QLOCCWNLQUKBLS-UHFFFAOYSA-N
Mol Weight 617.6 g/mol
Molecular Formula C31H38O8Se
Exact Mass 618.17319 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID FSTMIIPBEbs
Name Bis(1,1-dimethylethyl) p-Methoxybenzyl 4-Oxo-3-(phenylselenyl)cyclohexane-1,1,3-tricarboxylate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C31H38O8Se
InChI InChI=1S/C31H38O8Se/c1-28(2,3)38-26(34)30(25(33)37-19-21-13-15-22(36-7)16-14-21)18-17-24(32)31(20-30,27(35)39-29(4,5)6)40-23-11-9-8-10-12-23/h8-16H,17-20H2,1-7H3
InChIKey QLOCCWNLQUKBLS-UHFFFAOYSA-N
Molecular Weight 617.609 g/mol
SMILES C1(C(OC(C)(C)C)=O)(CC(C(OC(C)(C)C)=O)(C(OCc2ccc(cc2)OC)=O)CCC1=O)[Se]c1ccccc1
SPLASH splash10-00di-0900000000-88e378c7882f0b57b02e
Source of Spectrum J-61-5413-34
Synonyms 1,3-Ditert-butyl 1-(4-methoxybenzyl) 4-oxo-3-(phenylselanyl)-1,1,3-cyclohexanetricarboxylate
Wiley ID 1411400