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1,12-DODECANO-BIS-(D-PHE-D-PHE)

View entire compound with spectra: 2 NMR

1,12-DODECANO-BIS-(D-PHE-D-PHE)
SpectraBase Compound ID AXLpYWDHSyE
InChI InChI=1S/C48H64N6O4/c49-41(33-37-23-13-9-14-24-37)45(55)53-43(35-39-27-17-11-18-28-39)47(57)51-31-21-7-5-3-1-2-4-6-8-22-32-52-48(58)44(36-40-29-19-12-20-30-40)54-46(56)42(50)34-38-25-15-10-16-26-38/h9-20,23-30,41-44H,1-8,21-22,31-36,49-50H2,(H,51,57)(H,52,58)(H,53,55)(H,54,56)/t41-,42-,43+,44+/m0/s1
InChIKey JGNPXDUPQIOSNC-IYTFMMMVSA-N
Mol Weight 789.1 g/mol
Molecular Formula C48H64N6O4
Exact Mass 788.498905 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 1eM4LWRNFxp
Name 1,12-DODECANO-BIS-(D-PHE-L-PHE)
Compound Number 8E
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C48H64N6O4
InChI InChI=1S/C48H64N6O4/c49-41(33-37-23-13-9-14-24-37)45(55)53-43(35-39-27-17-11-18-28-39)47(57)51-31-21-7-5-3-1-2-4-6-8-22-32-52-48(58)44(36-40-29-19-12-20-30-40)54-46(56)42(50)34-38-25-15-10-16-26-38/h9-20,23-30,41-44H,1-8,21-22,31-36,49-50H2,(H,51,57)(H,52,58)(H,53,55)(H,54,56)/t41-,42-,43+,44+/m0/s1
InChIKey JGNPXDUPQIOSNC-IYTFMMMVSA-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 789.074 g/mol
Solvent CDCl3:DMSO-D6
Source File Reference UWVN4308