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PETASONE_A
SpectraBase Compound ID EOPfODVUL1X
InChI InChI=1S/C19H26O4S/c1-12(2)15-11-19(4)13(3)17(7-6-14(19)10-16(15)20)23-18(21)8-9-24(5)22/h8-10,13,17H,6-7,11H2,1-5H3/b9-8+/t13-,17+,19+,24?/m0/s1
InChIKey GJJOCUQOAXECJY-GIMDOYSESA-N
Mol Weight 350.47 g/mol
Molecular Formula C19H26O4S
Exact Mass 350.15518 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID JD992FumPmf
Name PETASONE_A
Compound Number 1
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C19H26O4S
InChI InChI=1S/C19H26O4S/c1-12(2)15-11-19(4)13(3)17(7-6-14(19)10-16(15)20)23-18(21)8-9-24(5)22/h8-10,13,17H,6-7,11H2,1-5H3/b9-8+/t13-,17+,19+,24?/m0/s1
InChIKey GJJOCUQOAXECJY-GIMDOYSESA-N
Literature Reference Author Y.L.LIN,C.H.MEI,S.L.HUANG,Y.H.KUO
Literature Reference Citation J.NAT.PROD.,61,887(1998)
Literature Reference DOI 10.1021/np970583z
Molecular Weight 350.473 g/mol
Solvent CDCl3
Source File Reference UWMZ518