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2-[(S)-1-(4-METHOXYPHENYL)-ETHYL]-3-OXO-2,7-DIAZASPIRO-[3.5]-NONA-5,8-DIENE-1,7-DICARBOXYLIC-ACID-1-TERT.-BUTYLESTER-7-PHENYLESTER
SpectraBase Compound ID 89jL588dKy4
InChI InChI=1S/2C28H30N2O6/c2*1-19(20-11-13-21(34-5)14-12-20)30-23(24(31)36-27(2,3)4)28(25(30)32)15-17-29(18-16-28)26(33)35-22-9-7-6-8-10-22/h2*6-19,23H,1-5H3/t2*19-,23+/m11/s1
InChIKey CYDUEHVXGSATMO-VEJGDHKPSA-N
Mol Weight 981.11 g/mol
Molecular Formula C56H60N4O12
Exact Mass 980.420773 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 48jekpXZO76
Name 2-[(S)-1-(4-METHOXYPHENYL)-ETHYL]-3-OXO-2,7-DIAZASPIRO-[3.5]-NONA-5,8-DIENE-1,7-DICARBOXYLIC-ACID-1-TERT.-BUTYLESTER-7-PHENYLESTER
Compound Number 19F
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C56H60N4O12
InChI InChI=1S/2C28H30N2O6/c2*1-19(20-11-13-21(34-5)14-12-20)30-23(24(31)36-27(2,3)4)28(25(30)32)15-17-29(18-16-28)26(33)35-22-9-7-6-8-10-22/h2*6-19,23H,1-5H3/t2*19-,23+/m11/s1
InChIKey CYDUEHVXGSATMO-VEJGDHKPSA-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 981.112 g/mol
Sample ID 58946
Solvent CDCl3