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(S)-1'-METHYLBUTYL-CAFFEATE
SpectraBase Compound ID JpMK9uqscrZ
InChI InChI=1S/C14H18O4/c1-3-4-10(2)18-14(17)8-6-11-5-7-12(15)13(16)9-11/h5-10,15-16H,3-4H2,1-2H3/b8-6+/t10-/m0/s1
InChIKey AGXDVPULWUXVDT-PCGIRMHASA-N
Mol Weight 250.29 g/mol
Molecular Formula C14H18O4
Exact Mass 250.120509 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID KKoMgj85Y2H
Name (S)-1'-METHYLBUTYL-CAFFEATE
Compound Number 1
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C14H18O4
InChI InChI=1S/C14H18O4/c1-3-4-10(2)18-14(17)8-6-11-5-7-12(15)13(16)9-11/h5-10,15-16H,3-4H2,1-2H3/b8-6+/t10-/m0/s1
InChIKey AGXDVPULWUXVDT-PCGIRMHASA-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 250.295 g/mol
Sample ID 37045
Solvent CDCl3