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METHYL-(1S,2S,5S,ALPHA-S)-2-N-BENZYL-N-ALPHA-METHYLBENZYLAMINO-5-METHOXYCARBONYLMETHYL-CYCLOPENTANE-1-CARBOXYLATE
SpectraBase Compound ID 44HGTYfMT8S
InChI InChI=1S/C25H31NO4/c1-18(20-12-8-5-9-13-20)26(17-19-10-6-4-7-11-19)22-15-14-21(16-23(27)29-2)24(22)25(28)30-3/h4-13,18,21-22,24H,14-17H2,1-3H3/t18-,21-,22-,24-/m0/s1
InChIKey JFLNTJDJEWSEID-CKLTXHEASA-N
Mol Weight 409.53 g/mol
Molecular Formula C25H31NO4
Exact Mass 409.225308 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID FxC5aAnqesT
Name METHYL-(1S,2S,5S,ALPHA-S)-2-N-BENZYL-N-ALPHA-METHYLBENZYLAMINO-5-METHOXYCARBONYLMETHYL-CYCLOPENTANE-1-CARBOXYLATE
Compound Number 19
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C25H31NO4
InChI InChI=1S/C25H31NO4/c1-18(20-12-8-5-9-13-20)26(17-19-10-6-4-7-11-19)22-15-14-21(16-23(27)29-2)24(22)25(28)30-3/h4-13,18,21-22,24H,14-17H2,1-3H3/t18-,21-,22-,24-/m0/s1
InChIKey JFLNTJDJEWSEID-CKLTXHEASA-N
Literature Reference Author N.M.GARRIDO,M.M.E.HAMMOUMI,D.DIEZ,M.GARCIA,J.G.URONES
Literature Reference Citation MOLECULES,9,373(2004)
Literature Reference DOI 10.3390/90500373
Molecular Weight 409.525 g/mol
Solvent CDCl3
Source File Reference UWMS5967