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2-(4-METHOXYBENZYL)-3-OXO-2,7-DIAZASPIRO-[3.5]-NONA-5,8-DIENE-1,7-DICARBOXYLIC-ACID-1-TERT.-BUTYLESTER-7-METHYLESTER
SpectraBase Compound ID BeJhy6TXOkH
InChI InChI=1S/2C22H26N2O6/c2*1-21(2,3)30-18(25)17-22(10-12-23(13-11-22)20(27)29-5)19(26)24(17)14-15-6-8-16(28-4)9-7-15/h2*6-13,17H,14H2,1-5H3
InChIKey UKOMJKWCKFYVIB-UHFFFAOYSA-N
Mol Weight 828.92 g/mol
Molecular Formula C44H52N4O12
Exact Mass 828.358173 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID BApS8R9ca9M
Name 2-(4-METHOXYBENZYL)-3-OXO-2,7-DIAZASPIRO-[3.5]-NONA-5,8-DIENE-1,7-DICARBOXYLIC-ACID-1-TERT.-BUTYLESTER-7-METHYLESTER
Compound Number 3E
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C44H52N4O12
InChI InChI=1S/2C22H26N2O6/c2*1-21(2,3)30-18(25)17-22(10-12-23(13-11-22)20(27)29-5)19(26)24(17)14-15-6-8-16(28-4)9-7-15/h2*6-13,17H,14H2,1-5H3
InChIKey UKOMJKWCKFYVIB-UHFFFAOYSA-N
Literature Reference Author G.ARNOTT,J.CLAYDEN,S.D.HAMILTON
Literature Reference Citation ORG.LETTERS,8,5325(2006)
Literature Reference DOI 10.1021/ol062126s
Molecular Weight 828.916 g/mol
Sample ID 58912
Solvent CDCl3