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(S)-1'-METHYLHEXYL-CAFFEATE
SpectraBase Compound ID y8Ducnie0P
InChI InChI=1S/C16H22O4/c1-3-4-5-6-12(2)20-16(19)10-8-13-7-9-14(17)15(18)11-13/h7-12,17-18H,3-6H2,1-2H3/b10-8+/t12-/m0/s1
InChIKey NCSRSZJMEGATGP-OANVXVOSSA-N
Mol Weight 278.35 g/mol
Molecular Formula C16H22O4
Exact Mass 278.151809 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID JYtpGwGzTAL
Name (S)-1'-METHYLHEXYL-CAFFEATE
Compound Number 2
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C16H22O4
InChI InChI=1S/C16H22O4/c1-3-4-5-6-12(2)20-16(19)10-8-13-7-9-14(17)15(18)11-13/h7-12,17-18H,3-6H2,1-2H3/b10-8+/t12-/m0/s1
InChIKey NCSRSZJMEGATGP-OANVXVOSSA-N
Literature Reference Author B.J.CABANILLAS,A.C.LELAMER,D.CASTILLO,J.AREVALO,R.ROJAS,G.OD ONNE,G.BOURDY,B.MOUK
Literature Reference Citation J.NAT.PROD.,73,1884(2010)
Literature Reference DOI 10.1021/np1005357
Molecular Weight 278.348 g/mol
Sample ID 37046
Solvent CDCl3