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DIETHYL-2-(6-TERT.-BUTYLHEXYLCARBAMOYL)-1,3-DIOXO-2,3,3A,4,7,7A-HEXAHYDRO-1H-ISOINDOLE-4-PHOSPHONATE
SpectraBase Compound ID FOIpT5q6mvA
InChI InChI=1S/C23H39N2O7P/c1-6-30-33(29,31-7-2)18-14-12-13-17-19(18)21(27)25(20(17)26)16-11-9-8-10-15-24-22(28)32-23(3,4)5/h12,14,17-19H,6-11,13,15-16H2,1-5H3,(H,24,28)/t17-,18+,19-/m0/s1
InChIKey CCEXMTYAIGNSGX-OTWHNJEPSA-N
Mol Weight 486.5 g/mol
Molecular Formula C23H39N2O7P
Exact Mass 486.249489 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 8tJcdRYxTRk
Name DIETHYL-2-(6-TERT.-BUTYLHEXYLCARBAMOYL)-1,3-DIOXO-2,3,3A,4,7,7A-HEXAHYDRO-1H-ISOINDOLE-4-PHOSPHONATE
Compound Number 5D
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C23H39N2O7P
InChI InChI=1S/C23H39N2O7P/c1-6-30-33(29,31-7-2)18-14-12-13-17-19(18)21(27)25(20(17)26)16-11-9-8-10-15-24-22(28)32-23(3,4)5/h12,14,17-19H,6-11,13,15-16H2,1-5H3,(H,24,28)/t17-,18+,19-/m0/s1
InChIKey CCEXMTYAIGNSGX-OTWHNJEPSA-N
Literature Reference Author E.VILLEMIN,M.F.HERENT,J.MARCHAND-BRYNAERT
Literature Reference Citation EUR.J.ORG.CHEM.,2012,6165(2012)
Literature Reference DOI 10.1002/ejoc.201200806
Molecular Weight 486.546 g/mol
Solvent CDCl3
Source File Reference UWLU83935