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(+)-PIVALOYL-(2R)-[(2-METHOXY-2-TRIFLUORO)-PHENYL-ACETIC-ACID]-COMOSOL;(R)-MTPAESTER
SpectraBase Compound ID CAV2LzrmUBL
InChI InChI=1S/C30H39F3O5/c1-19-13-14-24(38-26(35)29(36-7,30(31,32)33)22-11-9-8-10-12-22)28(6)16-15-21(17-23(19)28)20(2)18-37-25(34)27(3,4)5/h8-12,23-24H,1,13-18H2,2-7H3/b21-20+/t23-,24+,28+,29-/m0/s1
InChIKey MOHZHBORJSIHNN-MORKUKRRSA-N
Mol Weight 536.6 g/mol
Molecular Formula C30H39F3O5
Exact Mass 536.274959 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 9lnZ489pUAb
Name (+)-PIVALOYL-(2R)-[(2-METHOXY-2-TRIFLUORO)-PHENYL-ACETIC-ACID]-COMOSOL;(R)-MTPAESTER
Compound Number 1C
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C30H39F3O5
InChI InChI=1S/C30H39F3O5/c1-19-13-14-24(38-26(35)29(36-7,30(31,32)33)22-11-9-8-10-12-22)28(6)16-15-21(17-23(19)28)20(2)18-37-25(34)27(3,4)5/h8-12,23-24H,1,13-18H2,2-7H3/b21-20+/t23-,24+,28+,29-/m0/s1
InChIKey MOHZHBORJSIHNN-MORKUKRRSA-N
Literature Reference Author F.XU,S.NAKAMURA,Y.QU,H.MATSUDA,Y.PONGPIRIYADACHA,L.WU,M.YOSH IKAWA
Literature Reference Citation CHEM.PHARM.BULL.,56,1710(2008)
Literature Reference DOI 10.1248/cpb.56.1710
Molecular Weight 536.632 g/mol
Sample ID 2518
Solvent CDCl3