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IMBRICATOL-15-YL-IBUPROFENATE-METHYLESTER
SpectraBase Compound ID fbnpKyRdBJ
InChI InChI=1S/C34H52O4/c1-23(2)22-27-12-14-28(15-13-27)26(5)31(35)38-21-18-24(3)10-16-29-25(4)11-17-30-33(29,6)19-9-20-34(30,7)32(36)37-8/h12-15,23-24,26,29-30H,4,9-11,16-22H2,1-3,5-8H3/t24-,26+,29?,30?,33-,34+/m1/s1
InChIKey FEJKFARYBQUCCU-ZLBHFNFRSA-N
Mol Weight 524.8 g/mol
Molecular Formula C34H52O4
Exact Mass 524.38656 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 5FWhFjqddIK
Name IMBRICATOL-15-YL-IBUPROFENATE-METHYLESTER
Compound Number 9
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C34H52O4
InChI InChI=1S/C34H52O4/c1-23(2)22-27-12-14-28(15-13-27)26(5)31(35)38-21-18-24(3)10-16-29-25(4)11-17-30-33(29,6)19-9-20-34(30,7)32(36)37-8/h12-15,23-24,26,29-30H,4,9-11,16-22H2,1-3,5-8H3/t24-,26+,29?,30?,33-,34+/m1/s1
InChIKey FEJKFARYBQUCCU-ZLBHFNFRSA-N
Literature Reference Author C.THEODULOZ,C.DELPORTE,G.VALENZUELA-BARRA,X.SILVA,S.CADIZ,F. BUSTAMANTE,M.W.PERTI
Literature Reference Citation MOLECULES,20,11219(2015)
Literature Reference DOI 10.3390/molecules200611219
Molecular Weight 524.784 g/mol
Solvent CDCl3
Source File Reference UWPA3233