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GW597599;VESTIPITANT;IMPURITY-1

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GW597599;VESTIPITANT;IMPURITY-1
SpectraBase Compound ID Gk6sasdLEwo
InChI InChI=1S/C23H24F7N3O.CH4O3S/c1-13-8-18(24)4-5-19(13)20-12-31-6-7-33(20)21(34)32(3)14(2)15-9-16(22(25,26)27)11-17(10-15)23(28,29)30;1-5(2,3)4/h4-5,8-11,14,20,31H,6-7,12H2,1-3H3;1H3,(H,2,3,4)/t14-,20-;/m1./s1
InChIKey BHECXGHXWKHZOY-DXPOFMJKSA-N
Mol Weight 587.55 g/mol
Molecular Formula C24H28F7N3O4S
Exact Mass 587.168875 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 41XIN3md9hU
Name GW597599;VESTIPITANT;IMPURITY-1
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C24H28F7N3O4S
InChI InChI=1S/C23H24F7N3O.CH4O3S/c1-13-8-18(24)4-5-19(13)20-12-31-6-7-33(20)21(34)32(3)14(2)15-9-16(22(25,26)27)11-17(10-15)23(28,29)30;1-5(2,3)4/h4-5,8-11,14,20,31H,6-7,12H2,1-3H3;1H3,(H,2,3,4)/t14-,20-;/m1./s1
InChIKey BHECXGHXWKHZOY-DXPOFMJKSA-N
Literature Reference Author S.PROVERA,G.GUERCIO,L.TURCO,O.CURCURUTO,G.ALVARO,T.ROSSI,C.M ARCHIORO
Literature Reference Citation MAGN.RES.CHEM.,48,523(2010)
Literature Reference DOI 10.1002/mrc.2611
Molecular Weight 587.553 g/mol
Solvent DMSO-D6
Source File Reference UWIR16559