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OCTADEC-9-ENOIC-ACID-[3-HYDROXY-6-[3-(2,2,2-TRIFLUORO-ACETYLAMINO)-PROPOXY]-3,6-DIHYDRO-2H-PYRAN-2-YLMETHYL]-AMIDE
SpectraBase Compound ID 2exM1qWri1P
InChI InChI=1S/C29H49F3N2O6/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-18-26(36)40-34-23-25-24(35)19-20-27(39-25)38-22-17-21-33-28(37)29(30,31)32/h9-10,19-20,24-25,27,34-35H,2-8,11-18,21-23H2,1H3,(H,33,37)/b10-9-/t24-,25+,27-/m0/s1
InChIKey SYCMOQONRWNSKO-PTWLNKRMSA-N
Mol Weight 578.7 g/mol
Molecular Formula C29H49F3N2O6
Exact Mass 578.354272 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID LVPEsqCcGOI
Name OCTADEC-9-ENOIC-ACID-[3-HYDROXY-6-[3-(2,2,2-TRIFLUORO-ACETYLAMINO)-PROPOXY]-3,6-DIHYDRO-2H-PYRAN-2-YLMETHYL]-AMIDE
Compound Number 5
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C29H49F3N2O6
InChI InChI=1S/C29H49F3N2O6/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-18-26(36)40-34-23-25-24(35)19-20-27(39-25)38-22-17-21-33-28(37)29(30,31)32/h9-10,19-20,24-25,27,34-35H,2-8,11-18,21-23H2,1H3,(H,33,37)/b10-9-/t24-,25+,27-/m0/s1
InChIKey SYCMOQONRWNSKO-PTWLNKRMSA-N
Literature Reference Author J.HERSCOVICI,M.J.EGRON,A.QUENOT,F.LECLERCQ,N.LEFORESTIER,N.M IGNET,B.WETZER,D.SCH
Literature Reference Citation ORG.LETTERS,3,1893(2001)
Literature Reference DOI 10.1021/ol0159423
Molecular Weight 578.713 g/mol
Solvent DMSO-D6
Source File Reference UWLU35437