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N,N-BIS-CARBONYLBENZYLOXY-3-(R,S)-3-[2-(S)-2-CARBOXY-2-METHYLAMINO-ETHYL]-N-METHYL-2,3-DIHYDROINDOLE
SpectraBase Compound ID K7ofKDpwdx8
InChI InChI=1S/2C28H28N2O6/c2*1-29(27(33)35-18-20-10-4-2-5-11-20)25(26(31)32)16-22-17-30(24-15-9-8-14-23(22)24)28(34)36-19-21-12-6-3-7-13-21/h2*2-15,22,25H,16-19H2,1H3,(H,31,32)/t2*22?,25-/m00/s1
InChIKey DBZLWHDJKIPJNT-BDEXIYHDSA-N
Mol Weight 977.08 g/mol
Molecular Formula C56H56N4O12
Exact Mass 976.389473 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID GZETflBBur7
Name N,N-BIS-CARBONYLBENZYLOXY-3-(R,S)-3-[2-(S)-2-CARBOXY-2-METHYLAMINO-ETHYL]-N-METHYL-2,3-DIHYDROINDOLE
Compound Number 78
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C56H56N4O12
InChI InChI=1S/2C28H28N2O6/c2*1-29(27(33)35-18-20-10-4-2-5-11-20)25(26(31)32)16-22-17-30(24-15-9-8-14-23(22)24)28(34)36-19-21-12-6-3-7-13-21/h2*2-15,22,25H,16-19H2,1H3,(H,31,32)/t2*22?,25-/m00/s1
InChIKey DBZLWHDJKIPJNT-BDEXIYHDSA-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 977.080 g/mol
Solvent CDCl3
Source File Reference UWLU28000