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(S)-2-METHOXY-2-PHENYL-2-(TRIFLUOROMETHYL)-ACETIC-ACID-3-ALPHA-SENECIOYLOXY-6-BETA-HYDROXY-TROPANE
SpectraBase Compound ID tjOKRBTnel
InChI InChI=1S/C23H28F3NO5/c1-14(2)10-20(28)31-17-11-16-12-19(18(13-17)27(16)3)32-21(29)22(30-4,23(24,25)26)15-8-6-5-7-9-15/h5-10,16-19H,11-13H2,1-4H3/t16-,17+,18+,19+,22+/m0/s1
InChIKey PCECQSUBEXYZPQ-CPYOPQHUSA-N
Mol Weight 455.47 g/mol
Molecular Formula C23H28F3NO5
Exact Mass 455.191957 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID BtswB0LBqAa
Name (S)-2-METHOXY-2-PHENYL-2-(TRIFLUOROMETHYL)-ACETIC-ACID-3-ALPHA-SENECIOYLOXY-6-BETA-HYDROXY-TROPANE
Compound Number 3A
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C23H28F3NO5
InChI InChI=1S/C23H28F3NO5/c1-14(2)10-20(28)31-17-11-16-12-19(18(13-17)27(16)3)32-21(29)22(30-4,23(24,25)26)15-8-6-5-7-9-15/h5-10,16-19H,11-13H2,1-4H3/t16-,17+,18+,19+,22+/m0/s1
InChIKey PCECQSUBEXYZPQ-CPYOPQHUSA-N
Literature Reference Author M.HUMAM,T.SHOUL,D.JEANNERAT,O.MUNOZ,P.CHRISTEN
Literature Reference Citation MOLECULES,16,7199(2011)
Literature Reference DOI 10.3390/molecules16097199
Molecular Weight 455.474 g/mol
Sample ID 221
Solvent CDCl3