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1,2-ETHANO-BIS-(L-PHE-L-PHE)

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1,2-ETHANO-BIS-(L-PHE-L-PHE)
SpectraBase Compound ID BTgbqCtqS20
InChI InChI=1S/C38H44N6O4/c39-31(23-27-13-5-1-6-14-27)35(45)43-33(25-29-17-9-3-10-18-29)37(47)41-21-22-42-38(48)34(26-30-19-11-4-12-20-30)44-36(46)32(40)24-28-15-7-2-8-16-28/h1-20,31-34H,21-26,39-40H2,(H,41,47)(H,42,48)(H,43,45)(H,44,46)/t31-,32-,33+,34+/m1/s1
InChIKey NALTYARYBLEGQB-WZJLIZBTSA-N
Mol Weight 648.8 g/mol
Molecular Formula C38H44N6O4
Exact Mass 648.342404 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 38sXv7pdgKc
Name 1,2-ETHANO-BIS-(L-PHE-L-PHE)
Compound Number 14A
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C38H44N6O4
InChI InChI=1S/C38H44N6O4/c39-31(23-27-13-5-1-6-14-27)35(45)43-33(25-29-17-9-3-10-18-29)37(47)41-21-22-42-38(48)34(26-30-19-11-4-12-20-30)44-36(46)32(40)24-28-15-7-2-8-16-28/h1-20,31-34H,21-26,39-40H2,(H,41,47)(H,42,48)(H,43,45)(H,44,46)/t31-,32-,33+,34+/m1/s1
InChIKey NALTYARYBLEGQB-WZJLIZBTSA-N
Literature Reference Author S.KOBAYASHI,H.KOBAYASHI,T.YAMAGUCHI,M.NISHIDA,K.YAMAGUCHI,M. KURIHARA,N.MIYATA,A.
Literature Reference Citation CHEM.PHARM.BULL.,48,920(2000)
Literature Reference DOI 10.1248/cpb.48.920
Molecular Weight 648.805 g/mol
Solvent CDCl3
Source File Reference UWVN4316