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YNZKRUXNZWCGLW-KFRWLRAXSA-M

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YNZKRUXNZWCGLW-KFRWLRAXSA-M
SpectraBase Compound ID 9WQtPblMQOy
InChI InChI=1S/C19H24NO2.CHF3O3S/c1-20(2)17(15-9-5-3-6-10-15)13-19(21,22)14-18(20)16-11-7-4-8-12-16;2-1(3,4)8(5,6)7/h3-12,17-18,21-22H,13-14H2,1-2H3;(H,5,6,7)/q+1;/p-1/t17-,18+;/i21D,22D;
InChIKey YNZKRUXNZWCGLW-KFRWLRAXSA-M
Mol Weight 449.48 g/mol
Molecular Formula C20H222H2F3NO5S
Exact Mass 449.145282 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID LldJ3MJy6aM
Name YNZKRUXNZWCGLW-KFRWLRAXSA-M
Compound Number 5D
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C20H222H2F3NO5S
InChI InChI=1S/C19H24NO2.CHF3O3S/c1-20(2)17(15-9-5-3-6-10-15)13-19(21,22)14-18(20)16-11-7-4-8-12-16;2-1(3,4)8(5,6)7/h3-12,17-18,21-22H,13-14H2,1-2H3;(H,5,6,7)/q+1;/p-1/t17-,18+;/i21D,22D;
InChIKey YNZKRUXNZWCGLW-KFRWLRAXSA-M
Literature Reference Author D.YANG,Y.C.YIP,G.S.JIAO,M.K.WONG
Literature Reference Citation J.ORG.CHEM.,63,8952(1998)
Literature Reference DOI 10.1021/jo981270r
Molecular Weight 449.482 g/mol
Sample ID 26530
Solvent CD3CN:D2O