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N-(1)-METHYL-N-(2)-(P-ANISYLDIPHENYLMETHYL)-9-[[1-(P-ANISYLDIPHENYLMETHYL)-3-FLUORO-2-PROPOXY]-METHYL]-GUANINE
SpectraBase Compound ID AKr3eg49cTO
InChI InChI=1S/C50H46FN5O5/c1-55-47(57)45-46(53-48(55)54-49(36-16-8-4-9-17-36,37-18-10-5-11-19-37)38-24-28-42(58-2)29-25-38)56(34-52-45)35-60-44(32-51)33-61-50(39-20-12-6-13-21-39,40-22-14-7-15-23-40)41-26-30-43(59-3)31-27-41/h4-31,34,44H,32-33,35H2,1-3H3,(H,53,54)
InChIKey FDZBXMWPPHJGJT-UHFFFAOYSA-N
Mol Weight 815.9 g/mol
Molecular Formula C50H46FN5O5
Exact Mass 815.348298 g/mol

19F Nuclear Magnetic Resonance (NMR) Chemical Shifts

19F Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID CyIMQ85g9Qe
Name N-(1)-METHYL-N-(2)-(P-ANISYLDIPHENYLMETHYL)-9-[[1-(P-ANISYLDIPHENYLMETHYL)-3-FLUORO-2-PROPOXY]-METHYL]-GUANINE
Compound Number 33
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C50H46FN5O5
InChI InChI=1S/C50H46FN5O5/c1-55-47(57)45-46(53-48(55)54-49(36-16-8-4-9-17-36,37-18-10-5-11-19-37)38-24-28-42(58-2)29-25-38)56(34-52-45)35-60-44(32-51)33-61-50(39-20-12-6-13-21-39,40-22-14-7-15-23-40)41-26-30-43(59-3)31-27-41/h4-31,34,44H,32-33,35H2,1-3H3,(H,53,54)
InChIKey FDZBXMWPPHJGJT-UHFFFAOYSA-N
Literature Reference Author M.GROTE,S.NOLL,B.NOLL,B.JOHANNSEN,W.KRAUS
Literature Reference Citation CAN.J.CHEM.,82,513(2004)
Literature Reference DOI 10.1139/v04-005
Solvent DMSO-D6
Source File Reference UWVN27526