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BJLRXSFCKRZHIV-DELGTOLHSA-M

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BJLRXSFCKRZHIV-DELGTOLHSA-M
SpectraBase Compound ID I7rsPB778rg
InChI InChI=1S/C20H24NO.CHF3O3S/c1-15-19(22)14-18(16-10-6-4-7-11-16)21(2,3)20(15)17-12-8-5-9-13-17;2-1(3,4)8(5,6)7/h4-13,15,18,20H,14H2,1-3H3;(H,5,6,7)/q+1;/p-1/t15-,18+,20-;/m0./s1
InChIKey BJLRXSFCKRZHIV-DELGTOLHSA-M
Mol Weight 443.48 g/mol
Molecular Formula C21H24F3NO4S
Exact Mass 443.137814 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 7XqPXAfdnzx
Name BJLRXSFCKRZHIV-DELGTOLHSA-M
Compound Number 6
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C21H24F3NO4S
InChI InChI=1S/C20H24NO.CHF3O3S/c1-15-19(22)14-18(16-10-6-4-7-11-16)21(2,3)20(15)17-12-8-5-9-13-17;2-1(3,4)8(5,6)7/h4-13,15,18,20H,14H2,1-3H3;(H,5,6,7)/q+1;/p-1/t15-,18+,20-;/m0./s1
InChIKey BJLRXSFCKRZHIV-DELGTOLHSA-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 443.481 g/mol
Sample ID 26528
Solvent CD3CN:D2O