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

*Links on SpectraBase are not permalinks.
ROGIOLEYGENINE-B-(+)-(S)-2-METHOXY-2-PHENYL-2-(TRIFLUOROMETHYL)-ACETIC-ACID-ESTER;ROGIOLEYGENINE-B-(+)-MTPA-ESTER
SpectraBase Compound ID 5PTWHlyQAFS
InChI InChI=1S/C25H28BrCl2F3O4/c1-4-6-8-13-18(27)21-14-19(28)22(17(15-26)20(5-2)34-21)35-23(32)24(33-3,25(29,30)31)16-11-9-7-10-12-16/h1,6-12,17-22H,5,13-15H2,2-3H3/b8-6+/t17-,18?,19+,20+,21-,22+,24-/m1/s1
InChIKey YWCUVXVSSIIINA-UNGSIHKASA-N
Mol Weight 600.3 g/mol
Molecular Formula C25H28BrCl2F3O4
Exact Mass 598.050012 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 4zzmTkMJ92K
Name ROGIOLEYGENINE-B-(+)-(S)-2-METHOXY-2-PHENYL-2-(TRIFLUOROMETHYL)-ACETIC-ACID-ESTER;ROGIOLEYGENINE-B-(+)-MTPA-ESTER
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C25H28BrCl2F3O4
InChI InChI=1S/C25H28BrCl2F3O4/c1-4-6-8-13-18(27)21-14-19(28)22(17(15-26)20(5-2)34-21)35-23(32)24(33-3,25(29,30)31)16-11-9-7-10-12-16/h1,6-12,17-22H,5,13-15H2,2-3H3/b8-6+/t17-,18?,19+,20+,21-,22+,24-/m1/s1
InChIKey YWCUVXVSSIIINA-UNGSIHKASA-N
Literature Reference Author G.GUELLA,I.MANCINI,G.CHIASERA,F.PIETRA
Literature Reference Citation HELV.CHIM.ACTA,75,303(1992)
Literature Reference DOI 10.1002/hlca.19920750127
Molecular Weight 600.300 g/mol
Solvent CDCl3
Source File Reference UWCS6112