John Wiley & Sons, Inc. SpectraBase; SpectraBase Compound ID=FGC0IiEhijz SpectraBase Spectrum ID=1k432V9JS4o

(accessed ).
BIOT-4-(PARA)-1;N,N-BIS-(2-DIPHENYLPHOSPHANYL-ETHYL)-4-[6-(2-OXO-HEXAHYDROTHIENO-[3,4-D]-IMIDAZOL-6-YL)-HEXANOYLAMINO]-BENZAMIDE
SpectraBase Compound ID FGC0IiEhijz
InChI InChI=1S/C45H48N4O3P2S/c50-42(24-14-13-23-41-43-40(33-55-41)47-45(52)48-43)46-35-27-25-34(26-28-35)44(51)49(29-31-53(36-15-5-1-6-16-36)37-17-7-2-8-18-37)30-32-54(38-19-9-3-10-20-38)39-21-11-4-12-22-39/h1-12,15-22,25-28,40-41,43H,13-14,23-24,29-33H2,(H,46,50)(H2,47,48,52)/t40-,41-,43-/m0/s1
InChIKey UZBTVYUMHIBDLK-HMWSTLFVSA-N
Mol Weight 786.9 g/mol
Molecular Formula C45H48N4O3P2S
Exact Mass 786.29224 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

View the Full Spectrum for FREE!

The full spectrum can only be viewed using a FREE account.

SpectraBase Spectrum ID 1k432V9JS4o
Name BIOT-4-(PARA)-1;N,N-BIS-(2-DIPHENYLPHOSPHANYL-ETHYL)-4-[6-(2-OXO-HEXAHYDROTHIENO-[3,4-D]-IMIDAZOL-6-YL)-HEXANOYLAMINO]-BENZAMIDE
Copyright Copyright © 2016-2021 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C45H48N4O3P2S
InChI InChI=1S/C45H48N4O3P2S/c50-42(24-14-13-23-41-43-40(33-55-41)47-45(52)48-43)46-35-27-25-34(26-28-35)44(51)49(29-31-53(36-15-5-1-6-16-36)37-17-7-2-8-18-37)30-32-54(38-19-9-3-10-20-38)39-21-11-4-12-22-39/h1-12,15-22,25-28,40-41,43H,13-14,23-24,29-33H2,(H,46,50)(H2,47,48,52)/t40-,41-,43-/m0/s1
InChIKey UZBTVYUMHIBDLK-HMWSTLFVSA-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 786.909 g/mol
Solvent CDCl3
Source File Reference UWVN32490
SpectraBase Batch ID CG6qW2Re0YU