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NQADFHXRCQXJAD-MQGYDJPCSA-M

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NQADFHXRCQXJAD-MQGYDJPCSA-M
SpectraBase Compound ID K0ESi5ThIrm
InChI InChI=1S/C21H28NO2.CHF3O3S/c1-15-19(17-11-7-5-8-12-17)22(3,4)20(16(2)21(15,23)24)18-13-9-6-10-14-18;2-1(3,4)8(5,6)7/h5-16,19-20,23-24H,1-4H3;(H,5,6,7)/q+1;/p-1/t15-,16+,19+,20-;/i23D,24D;
InChIKey NQADFHXRCQXJAD-MQGYDJPCSA-M
Mol Weight 477.54 g/mol
Molecular Formula C22H262H2F3NO5S
Exact Mass 477.176582 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 4n4pDFMV0Wy
Name NQADFHXRCQXJAD-MQGYDJPCSA-M
Compound Number 7D
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C22H262H2F3NO5S
InChI InChI=1S/C21H28NO2.CHF3O3S/c1-15-19(17-11-7-5-8-12-17)22(3,4)20(16(2)21(15,23)24)18-13-9-6-10-14-18;2-1(3,4)8(5,6)7/h5-16,19-20,23-24H,1-4H3;(H,5,6,7)/q+1;/p-1/t15-,16+,19+,20-;/i23D,24D;
InChIKey NQADFHXRCQXJAD-MQGYDJPCSA-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 477.536 g/mol
Sample ID 26532
Solvent CD3CN:D2O