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MDXSTINILRWNRL-HRKWZSCTSA-M

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MDXSTINILRWNRL-HRKWZSCTSA-M
SpectraBase Compound ID ESZf3W9XEtp
InChI InChI=1S/C23H20NO3.FHO3S/c1-27-23(26)21(22(25)19-13-7-3-8-14-19)24(20-15-9-4-10-16-20)17-18-11-5-2-6-12-18;1-5(2,3)4/h2-17,21H,1H3;(H,2,3,4)/q+1;/p-1/b24-17+;
InChIKey MDXSTINILRWNRL-HRKWZSCTSA-M
Mol Weight 457.47 g/mol
Molecular Formula C23H20FNO6S
Exact Mass 457.099537 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 8bhSQJHKdyW
Name MDXSTINILRWNRL-HRKWZSCTSA-M
Compound Number 4B/4'B,(Z-OR-E-ISOMER)
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C23H20FNO6S
InChI InChI=1S/C23H20NO3.FHO3S/c1-27-23(26)21(22(25)19-13-7-3-8-14-19)24(20-15-9-4-10-16-20)17-18-11-5-2-6-12-18;1-5(2,3)4/h2-17,21H,1H3;(H,2,3,4)/q+1;/p-1/b24-17+;
InChIKey MDXSTINILRWNRL-HRKWZSCTSA-M
Literature Reference Author M.VAULTIER,G.MULLICK,R.CARRIE
Literature Reference Citation CAN.J.CHEM.,57,2876(1979)
Literature Reference DOI 10.1139/v79-467
Molecular Weight 457.473 g/mol
Solvent CD3CN
Source File Reference UWCS6439