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KZIZXYAVUMMNAE-JIHRGBCWSA-N

View entire compound with spectra: 1 NMR

KZIZXYAVUMMNAE-JIHRGBCWSA-N
SpectraBase Compound ID LGlQzEQLRgq
InChI InChI=1S/C35H42F3N3O8S/c1-3-9-25(15-14-24-10-6-5-7-11-24)18-30(45)34(47,32(46)40-33(21-42,22-43)23-44)29(4-2)26-12-8-13-28(19-26)41-50(48,49)31-17-16-27(20-39-31)35(36,37)38/h5-8,10-13,16-20,29,41-44,47H,3-4,9,14-15,21-23H2,1-2H3,(H,40,46)/b25-18-/t29-,34-/m1/s1
InChIKey KZIZXYAVUMMNAE-JIHRGBCWSA-N
Mol Weight 721.8 g/mol
Molecular Formula C35H42F3N3O8S
Exact Mass 721.264471 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID KFWMJfwkHdF
Name KZIZXYAVUMMNAE-JIHRGBCWSA-N
Compound Number 8
Copyright Copyright © 2016-2025 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C35H42F3N3O8S
InChI InChI=1S/C35H42F3N3O8S/c1-3-9-25(15-14-24-10-6-5-7-11-24)18-30(45)34(47,32(46)40-33(21-42,22-43)23-44)29(4-2)26-12-8-13-28(19-26)41-50(48,49)31-17-16-27(20-39-31)35(36,37)38/h5-8,10-13,16-20,29,41-44,47H,3-4,9,14-15,21-23H2,1-2H3,(H,40,46)/b25-18-/t29-,34-/m1/s1
InChIKey KZIZXYAVUMMNAE-JIHRGBCWSA-N
Literature Reference Author C.A.BUSACCA,S.CAMPBELL,A.SAHA,J.C.LORENZ,K.GROZINGER,P.J.JON ES,N.GRINBERG,S.SHEN
Literature Reference Citation MAGN.RES.CHEM.,43,1032(2005)
Literature Reference DOI 10.1002/mrc.1672
Molecular Weight 721.789 g/mol
Solvent CDCl3
Source File Reference UWLU36504