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#11;(2S)-[N-[[N'-(9-FLUORENYLMETHOXYCARBONYL)-N'-(TERT.-BUTYLOXYCARBONYLMETHYL)]-AMINOETHYL]-N-[(1',3'-DIOXO-3'-BENZYLOXY)-PROPYL]]-2-AMINO-3-PHENYLPROPIONAMID
SpectraBase Compound ID 143PDBNR2W8
InChI InChI=1S/2C42H45N3O8/c2*1-42(2,3)53-39(48)26-44(41(50)52-28-35-33-20-12-10-18-31(33)32-19-11-13-21-34(32)35)22-23-45(36(40(43)49)24-29-14-6-4-7-15-29)37(46)25-38(47)51-27-30-16-8-5-9-17-30/h2*4-21,35-36H,22-28H2,1-3H3,(H2,43,49)/t2*36-/m10/s1
InChIKey JJZSKJXKANSQPQ-PFKRFHSQSA-N
Mol Weight 1439.7 g/mol
Molecular Formula C84H90N6O16
Exact Mass 1438.641331 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID bXk5Fid81x
Name #11;(2S)-[N-[[N'-(9-FLUORENYLMETHOXYCARBONYL)-N'-(TERT.-BUTYLOXYCARBONYLMETHYL)]-AMINOETHYL]-N-[(1',3'-DIOXO-3'-BENZYLOXY)-PROPYL]]-2-AMINO-3-PHENYLPROPIONAMID
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C84H90N6O16
InChI InChI=1S/2C42H45N3O8/c2*1-42(2,3)53-39(48)26-44(41(50)52-28-35-33-20-12-10-18-31(33)32-19-11-13-21-34(32)35)22-23-45(36(40(43)49)24-29-14-6-4-7-15-29)37(46)25-38(47)51-27-30-16-8-5-9-17-30/h2*4-21,35-36H,22-28H2,1-3H3,(H2,43,49)/t2*36-/m10/s1
InChIKey JJZSKJXKANSQPQ-PFKRFHSQSA-N
Literature Reference Author Y.HAN,C.GIRAGOSSIAN,D.F.MIERKE,M.CHOREV
Literature Reference Citation J.ORG.CHEM.,67,5085(2002)
Literature Reference DOI 10.1021/jo011041w
Molecular Weight 1439.669 g/mol
Solvent Unknown
Source File Reference UWMS24714