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2-BENZYLOXYMETHYL-3-[3-(1,3-DIMETHYL-2-OXO-OCTAHYDRO-BENZO-[1,3,2]-DIAZAPHOSPHOL-2-YL)-1-METHYL-ALLYL]-CYCLOPENTANONE
SpectraBase Compound ID 8o0E4gCeoFr
InChI InChI=1S/C25H37N2O3P/c1-19(15-16-31(29)26(2)23-11-7-8-12-24(23)27(31)3)21-13-14-25(28)22(21)18-30-17-20-9-5-4-6-10-20/h4-6,9-10,15-16,19,21-24H,7-8,11-14,17-18H2,1-3H3/b16-15+/t19-,21-,22-,23+,24+/m0/s1
InChIKey ZDSSJSBUYXUJSJ-CJHQVGNRSA-N
Mol Weight 444.6 g/mol
Molecular Formula C25H37N2O3P
Exact Mass 444.25418 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID F04blRo3wKA
Name 2-BENZYLOXYMETHYL-3-[3-(1,3-DIMETHYL-2-OXO-OCTAHYDRO-BENZO-[1,3,2]-DIAZAPHOSPHOL-2-YL)-1-METHYL-ALLYL]-CYCLOPENTANONE
Compound Number 5
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C25H37N2O3P
InChI InChI=1S/C25H37N2O3P/c1-19(15-16-31(29)26(2)23-11-7-8-12-24(23)27(31)3)21-13-14-25(28)22(21)18-30-17-20-9-5-4-6-10-20/h4-6,9-10,15-16,19,21-24H,7-8,11-14,17-18H2,1-3H3/b16-15+/t19-,21-,22-,23+,24+/m0/s1
InChIKey ZDSSJSBUYXUJSJ-CJHQVGNRSA-N
Literature Reference Author S.HANESSIAN,E.MAINETTI,F.LECOMTE
Literature Reference Citation ORG.LETTERS,8,4047(2006)
Literature Reference DOI 10.1021/ol0615230
Molecular Weight 444.554 g/mol
Sample ID 59774
Solvent CDCl3