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BIOT-4-(ORTHO)-1;N,N-BIS-(2-DIPHENYLPHOSPHANYL-ETHYL)-2-[6-(2-OXO-HEXAHYDROTHIENO-[3,4-D]-IMIDAZOL-6-YL)-HEXANOYLAMINO]-BENZAMIDE

View entire compound with spectra: 2 NMR

BIOT-4-(ORTHO)-1;N,N-BIS-(2-DIPHENYLPHOSPHANYL-ETHYL)-2-[6-(2-OXO-HEXAHYDROTHIENO-[3,4-D]-IMIDAZOL-6-YL)-HEXANOYLAMINO]-BENZAMIDE
SpectraBase Compound ID JGXnqyVMOaJ
InChI InChI=1S/C45H48N4O3P2S/c50-42(28-16-15-27-41-43-40(33-55-41)47-45(52)48-43)46-39-26-14-13-25-38(39)44(51)49(29-31-53(34-17-5-1-6-18-34)35-19-7-2-8-20-35)30-32-54(36-21-9-3-10-22-36)37-23-11-4-12-24-37/h1-14,17-26,40-41,43H,15-16,27-33H2,(H,46,50)(H2,47,48,52)/t40-,41-,43-/m0/s1
InChIKey SUHDVLFERPUIDU-HMWSTLFVSA-N
Mol Weight 786.9 g/mol
Molecular Formula C45H48N4O3P2S
Exact Mass 786.292237 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID Ba1wpzxAwyx
Name BIOT-4-(ORTHO)-1;N,N-BIS-(2-DIPHENYLPHOSPHANYL-ETHYL)-2-[6-(2-OXO-HEXAHYDROTHIENO-[3,4-D]-IMIDAZOL-6-YL)-HEXANOYLAMINO]-BENZAMIDE
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C45H48N4O3P2S
InChI InChI=1S/C45H48N4O3P2S/c50-42(28-16-15-27-41-43-40(33-55-41)47-45(52)48-43)46-39-26-14-13-25-38(39)44(51)49(29-31-53(34-17-5-1-6-18-34)35-19-7-2-8-20-35)30-32-54(36-21-9-3-10-22-36)37-23-11-4-12-24-37/h1-14,17-26,40-41,43H,15-16,27-33H2,(H,46,50)(H2,47,48,52)/t40-,41-,43-/m0/s1
InChIKey SUHDVLFERPUIDU-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 UWVN32501