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8-CHLORO-4-[1-(2,3,5-TRI-BENZOYL-BETA-D-RIBOFURANOSYL)-OXO]-1,3-DIHYDRO-2H-1,5-BENZODIAZEPIN-2-ONE
SpectraBase Compound ID JbkVU1qhaPL
InChI InChI=1S/C36H27ClN2O9/c37-24-16-17-25-26(18-24)39-29(40)19-27(38-25)30(41)32-33(48-36(44)23-14-8-3-9-15-23)31(47-35(43)22-12-6-2-7-13-22)28(46-32)20-45-34(42)21-10-4-1-5-11-21/h1-19,28,31-33,38H,20H2,(H,39,40)/t28-,31-,32+,33-/m0/s1
InChIKey WSIRYNRLVRGSPY-RACJEYCXSA-N
Mol Weight 667.1 g/mol
Molecular Formula C36H27ClN2O9
Exact Mass 666.140508 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 3CBI5Acvy08
Name 8-CHLORO-4-[1-(2,3,5-TRI-BENZOYL-BETA-D-RIBOFURANOSYL)-OXO]-1,3-DIHYDRO-2H-1,5-BENZODIAZEPIN-2-ONE
Compound Number 4B
Copyright Copyright © 2016-2025 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C36H27ClN2O9
InChI InChI=1S/C36H27ClN2O9/c37-24-16-17-25-26(18-24)39-29(40)19-27(38-25)30(41)32-33(48-36(44)23-14-8-3-9-15-23)31(47-35(43)22-12-6-2-7-13-22)28(46-32)20-45-34(42)21-10-4-1-5-11-21/h1-19,28,31-33,38H,20H2,(H,39,40)/t28-,31-,32+,33-/m0/s1
InChIKey WSIRYNRLVRGSPY-RACJEYCXSA-N
Literature Reference Author Y.ITO,M.WAKIMURA,C.ITO,I.MAEBA
Literature Reference Citation HETEROCYCLES,34,955(1992)
Literature Reference DOI 10.3987/COM-91-5966
Molecular Weight 667.071 g/mol
Solvent CDCl3
Source File Reference UWGE2401