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BIOT-1;5-(2-OXO-HEXAHYDROTHIENO-[3,4-D]-IMIDAZOL-4-YL)-PENTANOIC-ACID-BIS-(2-DIPHENYLPHOSPHANYL-ETHYL)-AMIDE
SpectraBase Compound ID 7o8Iz48hE6e
InChI InChI=1S/C38H43N3O2P2S/c42-36(24-14-13-23-35-37-34(29-46-35)39-38(43)40-37)41(25-27-44(30-15-5-1-6-16-30)31-17-7-2-8-18-31)26-28-45(32-19-9-3-10-20-32)33-21-11-4-12-22-33/h1-12,15-22,34-35,37H,13-14,23-29H2,(H2,39,40,43)/t34-,35-,37-/m0/s1
InChIKey YQGVXWZSNIQEOR-IWQNTTPNSA-N
Mol Weight 667.8 g/mol
Molecular Formula C38H43N3O2P2S
Exact Mass 667.255123 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID EN5lRimTbNQ
Name BIOT-1;5-(2-OXO-HEXAHYDROTHIENO-[3,4-D]-IMIDAZOL-4-YL)-PENTANOIC-ACID-BIS-(2-DIPHENYLPHOSPHANYL-ETHYL)-AMIDE
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C38H43N3O2P2S
InChI InChI=1S/C38H43N3O2P2S/c42-36(24-14-13-23-35-37-34(29-46-35)39-38(43)40-37)41(25-27-44(30-15-5-1-6-16-30)31-17-7-2-8-18-31)26-28-45(32-19-9-3-10-20-32)33-21-11-4-12-22-33/h1-12,15-22,34-35,37H,13-14,23-29H2,(H2,39,40,43)/t34-,35-,37-/m0/s1
InChIKey YQGVXWZSNIQEOR-IWQNTTPNSA-N
Literature Reference Author M.SKANDER,N.HUMBERT,J.COLLOT,J.GRADINARU,G.KLEIN,A.LOOSLI,J. SAUSER,A.ZOCCHI,F.GI
Literature Reference Citation J.AM.CHEM.SOC.,126,14411(2004)
Literature Reference DOI 10.1021/ja0476718
Molecular Weight 667.786 g/mol
Solvent CDCl3
Source File Reference UWVN32483