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N-(2-ETHOXYCARBONYL-1-CYCLOHEXENYL)-L-VALINE-4-(BENZYLOXY)-PIPERIDIDE

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N-(2-ETHOXYCARBONYL-1-CYCLOHEXENYL)-L-VALINE-4-(BENZYLOXY)-PIPERIDIDE
SpectraBase Compound ID w9FtdtvOhM
InChI InChI=1S/2C26H38N2O4/c2*1-4-31-26(30)22-12-8-9-13-23(22)27-24(19(2)3)25(29)28-16-14-21(15-17-28)32-18-20-10-6-5-7-11-20/h2*5-7,10-11,19,21,24,27H,4,8-9,12-18H2,1-3H3/t2*24-/m00/s1
InChIKey IMRWORXLEDMXEW-PFQWSWECSA-N
Mol Weight 885.2 g/mol
Molecular Formula C52H76N4O8
Exact Mass 884.566315 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID HcKyjI0sS7C
Name N-(2-ETHOXYCARBONYL-1-CYCLOHEXENYL)-L-VALINE-4-(BENZYLOXY)-PIPERIDIDE
Compound Number 3B
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C52H76N4O8
InChI InChI=1S/2C26H38N2O4/c2*1-4-31-26(30)22-12-8-9-13-23(22)27-24(19(2)3)25(29)28-16-14-21(15-17-28)32-18-20-10-6-5-7-11-20/h2*5-7,10-11,19,21,24,27H,4,8-9,12-18H2,1-3H3/t2*24-/m00/s1
InChIKey IMRWORXLEDMXEW-PFQWSWECSA-N
Literature Reference Author B.KREIDLER,A.BARO,J.CHRISTOFFERS
Literature Reference Citation EUR.J.ORG.CHEM.,5339(2005)
Molecular Weight 885.197 g/mol
Sample ID 42497
Solvent CDCl3