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POYRKYGWFPRWSC-PIZVFWAQSA-N
SpectraBase Compound ID IH0fs4nV36t
InChI InChI=1S/2C21H29F3O8S/c2*1-14(15(2)32-33(5,27)28)13-18(31-16(3)25)11-12-30-19(26)20(29-4,21(22,23)24)17-9-7-6-8-10-17/h2*6-10,14-15,18H,11-13H2,1-5H3/t14-,15+,18+,20-;14-,15-,18-,20+/m00/s1
InChIKey POYRKYGWFPRWSC-PIZVFWAQSA-N
Mol Weight 997.02 g/mol
Molecular Formula C42H58F6O16S2
Exact Mass 996.307047 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID IPLF7HkCvhe
Name POYRKYGWFPRWSC-PIZVFWAQSA-N
Compound Number 15A
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C42H58F6O16S2
InChI InChI=1S/2C21H29F3O8S/c2*1-14(15(2)32-33(5,27)28)13-18(31-16(3)25)11-12-30-19(26)20(29-4,21(22,23)24)17-9-7-6-8-10-17/h2*6-10,14-15,18H,11-13H2,1-5H3/t14-,15+,18+,20-;14-,15-,18-,20+/m00/s1
InChIKey POYRKYGWFPRWSC-PIZVFWAQSA-N
Literature Reference Author J.KOBAYASHI,T.KUBOTA,T.ENDO,M.TSUDA
Literature Reference Citation J.ORG.CHEM.,66,134(2001)
Literature Reference DOI 10.1021/jo005607c
Molecular Weight 997.023 g/mol
Solvent CDCl3
Source File Reference UWMS28099