John Wiley & Sons, Inc. SpectraBase; SpectraBase Compound ID=J7Zmy1CXohW SpectraBase Spectrum ID=KYs3JufnVGm

(accessed ).
TERT.-BUTYL-(1S,2S,5S,ALPHA-S)-2-N-BENZYL-N-ALPHA-METHYLBENZYLAMINO-5-METHOXYCARBONYLMETHYL-CYCLOPENTANE-1-CARBOXYLATE
SpectraBase Compound ID J7Zmy1CXohW
InChI InChI=1S/C28H37NO4/c1-20(22-14-10-7-11-15-22)29(19-21-12-8-6-9-13-21)24-17-16-23(18-25(30)32-5)26(24)27(31)33-28(2,3)4/h6-15,20,23-24,26H,16-19H2,1-5H3/t20-,23-,24-,26-/m0/s1
InChIKey OBHIRSBCFFQOEK-VIRINCGLSA-N
Mol Weight 451.6 g/mol
Molecular Formula C28H37NO4
Exact Mass 451.272259 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID KYs3JufnVGm
Name TERT.-BUTYL-(1S,2S,5S,ALPHA-S)-2-N-BENZYL-N-ALPHA-METHYLBENZYLAMINO-5-METHOXYCARBONYLMETHYL-CYCLOPENTANE-1-CARBOXYLATE
Compound Number 18
Copyright Copyright © 2016-2021 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C28H37NO4
InChI InChI=1S/C28H37NO4/c1-20(22-14-10-7-11-15-22)29(19-21-12-8-6-9-13-21)24-17-16-23(18-25(30)32-5)26(24)27(31)33-28(2,3)4/h6-15,20,23-24,26H,16-19H2,1-5H3/t20-,23-,24-,26-/m0/s1
InChIKey OBHIRSBCFFQOEK-VIRINCGLSA-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 451.606 g/mol
Solvent CDCl3
Source File Reference UWMS5966
SpectraBase Batch ID 1fHccmXB6oU