For citations & permissions, please see: Citations & Permissions - Wiley Science Solutions*

*Links on SpectraBase are not permalinks.
#5;3-(TOSYLOXY)-PROPYL-3-[3-[4-(3-ACETAMIDOPHENYL)-PIPERIDIN-1-YL]-PROPYL-CARBAMOYL]-4-(3,4-DIFLUOROPHENYL)-6-(METHOXYMETHYL)-2-OXO-1,2,3,4-TETRAHYDRO-PYRIMIDI
SpectraBase Compound ID GEjnH3rlxpx
InChI InChI=1S/2C40H47F2N5O9S/c2*1-26-9-12-32(13-10-26)57(52,53)56-22-6-21-55-38(49)36-35(25-54-3)45-40(51)47(37(36)30-11-14-33(41)34(42)24-30)39(50)43-17-5-18-46-19-15-28(16-20-46)29-7-4-8-31(23-29)44-27(2)48/h2*4,7-14,23-24,28,37H,5-6,15-22,25H2,1-3H3,(H,43,50)(H,44,48)(H,45,51)
InChIKey SDBTUNLDUTYZCE-UHFFFAOYSA-N
Mol Weight 1623.8 g/mol
Molecular Formula C80H94F4N10O18S2
Exact Mass 1622.612511 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 K8sZz7ljTVZ
Name #5;3-(TOSYLOXY)-PROPYL-3-[3-[4-(3-ACETAMIDOPHENYL)-PIPERIDIN-1-YL]-PROPYL-CARBAMOYL]-4-(3,4-DIFLUOROPHENYL)-6-(METHOXYMETHYL)-2-OXO-1,2,3,4-TETRAHYDRO-PYRIMIDI
Copyright Copyright © 2016-2025 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C80H94F4N10O18S2
InChI InChI=1S/2C40H47F2N5O9S/c2*1-26-9-12-32(13-10-26)57(52,53)56-22-6-21-55-38(49)36-35(25-54-3)45-40(51)47(37(36)30-11-14-33(41)34(42)24-30)39(50)43-17-5-18-46-19-15-28(16-20-46)29-7-4-8-31(23-29)44-27(2)48/h2*4,7-14,23-24,28,37H,5-6,15-22,25H2,1-3H3,(H,43,50)(H,44,48)(H,45,51)
InChIKey SDBTUNLDUTYZCE-UHFFFAOYSA-N
Literature Reference Author E.SCHIRMER,K.SHANAB,B.DATTERL,C.NEUDORFER,M.MITTERHAUSER,W.W ADSAK,C.PHILIPPE
Literature Reference Citation MOLECULES,18,12119(2013)
Literature Reference DOI 10.3390/molecules181012119
Molecular Weight 1623.796 g/mol
Solvent CDCl3
Source File Reference UWIR9553