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A2-E
SpectraBase Compound ID 8Qnk0CbmTWU
InChI InChI=1S/C42H58NO.C2HF3O2/c1-32(20-22-39-35(4)17-12-25-41(39,6)7)14-10-16-34(3)30-38-31-37(24-27-43(38)28-29-44)19-11-15-33(2)21-23-40-36(5)18-13-26-42(40,8)9;3-2(4,5)1(6)7/h10-11,14-16,19-24,27,30-31,44H,12-13,17-18,25-26,28-29H2,1-9H3;(H,6,7)/q+1;/p-1/b16-10+,19-11+,22-20+,23-21+,32-14+,33-15+,34-30+;
InChIKey ZFPRGIJSRMWZMS-KFKWWMHDSA-M
Mol Weight 705.9 g/mol
Molecular Formula C44H58F3NO3
Exact Mass 705.436879 g/mol

19F Nuclear Magnetic Resonance (NMR) Chemical Shifts

19F Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 879azVv23Xk
Name A2-E
Compound Number 2
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C44H58F3NO3
InChI InChI=1S/C42H58NO.C2HF3O2/c1-32(20-22-39-35(4)17-12-25-41(39,6)7)14-10-16-34(3)30-38-31-37(24-27-43(38)28-29-44)19-11-15-33(2)21-23-40-36(5)18-13-26-42(40,8)9;3-2(4,5)1(6)7/h10-11,14-16,19-24,27,30-31,44H,12-13,17-18,25-26,28-29H2,1-9H3;(H,6,7)/q+1;/p-1/b16-10+,19-11+,22-20+,23-21+,32-14+,33-15+,34-30+;
InChIKey ZFPRGIJSRMWZMS-KFKWWMHDSA-M
Literature Reference Author N.SAKAI,J.DECATUR,K.NAKANISHI,G.E.ELDRED
Literature Reference Citation J.AM.CHEM.SOC.,118,1559(1996)
Literature Reference DOI 10.1021/ja953480g
Solvent CDCl3
Source File Reference UWSI38343