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(S)-2-(BENZYLOXYCARBONYL-METHYL-AMINO)-5-[TERT.-BUTOXYCARBONYLAMINO-(TERT.-BUTOXYCARBONYLAMINO)-METHYL]-PENTANOIC-ACID-METHYLESTER
SpectraBase Compound ID I8b8cEeoeFH
InChI InChI=1S/2C26H40N4O8/c2*1-25(2,3)37-22(32)28-21(29-23(33)38-26(4,5)6)27-16-12-15-19(20(31)35-8)30(7)24(34)36-17-18-13-10-9-11-14-18/h2*9-11,13-14,19H,12,15-17H2,1-8H3,(H2,27,28,29,32,33)/t2*19-/m00/s1
InChIKey RFSIPPSYERXBMD-KXSSUAHJSA-N
Mol Weight 1073.3 g/mol
Molecular Formula C52H80N8O16
Exact Mass 1072.569229 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID KMpovUsS4Vg
Name (S)-2-(BENZYLOXYCARBONYL-METHYL-AMINO)-5-[TERT.-BUTOXYCARBONYLAMINO-(TERT.-BUTOXYCARBONYLAMINO)-METHYL]-PENTANOIC-ACID-METHYLESTER
Compound Number 63
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C52H80N8O16
InChI InChI=1S/2C26H40N4O8/c2*1-25(2,3)37-22(32)28-21(29-23(33)38-26(4,5)6)27-16-12-15-19(20(31)35-8)30(7)24(34)36-17-18-13-10-9-11-14-18/h2*9-11,13-14,19H,12,15-17H2,1-8H3,(H2,27,28,29,32,33)/t2*19-/m00/s1
InChIKey RFSIPPSYERXBMD-KXSSUAHJSA-N
Literature Reference Author L.AURELIO,J.S.BOX,R.T.C.BROWNLEE,A.B.HUGHES,M.M.SLEEBS
Literature Reference Citation J.ORG.CHEM.,68,2652(2003)
Literature Reference DOI 10.1021/jo026722l
Molecular Weight 1073.251 g/mol
Solvent CDCl3
Source File Reference UWLU27992