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4-METHYLPYOCHELIN-II-METHYLESTER;(4'R,2''S,4''R)-ISOMER

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4-METHYLPYOCHELIN-II-METHYLESTER;(4'R,2''S,4''R)-ISOMER
SpectraBase Compound ID 4wgYjRN9oxv
InChI InChI=1S/C16H20N2O3S2/c1-9-4-5-10(13(19)6-9)14-17-11(7-22-14)15-18(2)12(8-23-15)16(20)21-3/h4-6,11-12,15,19H,7-8H2,1-3H3/t11-,12+,15-/m1/s1
InChIKey AILUAFHQNZDVIF-TYNCELHUSA-N
Mol Weight 352.47 g/mol
Molecular Formula C16H20N2O3S2
Exact Mass 352.091535 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 2mN3fP96MXe
Name 4-METHYLPYOCHELIN-II-METHYLESTER;(4'R,2''S,4''R)-ISOMER
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C16H20N2O3S2
InChI InChI=1S/C16H20N2O3S2/c1-9-4-5-10(13(19)6-9)14-17-11(7-22-14)15-18(2)12(8-23-15)16(20)21-3/h4-6,11-12,15,19H,7-8H2,1-3H3/t11-,12+,15-/m1/s1
InChIKey AILUAFHQNZDVIF-TYNCELHUSA-N
Literature Reference Author K.L.RINEHART,A.L.STALEY,S.R.WILSON,R.G.ANKENBAUER,C.D.COX
Literature Reference Citation J.ORG.CHEM.,60,2786(1995)
Literature Reference DOI 10.1021/jo00114a029
Molecular Weight 352.466 g/mol
Solvent CDCl3
Source File Reference UWGE835