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2-(3-HYDROXYBUTYL)-3-[4-(3-ETHYLAMINO-1-OXAPROPYL)-3,5-DIIODOBENZOYL]-BENZOFURAN;3-OH-MDEA
SpectraBase Compound ID 6cSJEjP2hsa
InChI InChI=1S/C23H25I2NO4/c1-3-26-10-11-29-23-17(24)12-15(13-18(23)25)22(28)21-16-6-4-5-7-19(16)30-20(21)9-8-14(2)27/h4-7,12-14,26-27H,3,8-11H2,1-2H3
InChIKey HUCFRTSKJVTUPE-UHFFFAOYSA-N
Mol Weight 633.26 g/mol
Molecular Formula C23H25I2NO4
Exact Mass 632.987298 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID JSEqtYjJOvo
Name 2-(3-HYDROXYBUTYL)-3-[4-(3-ETHYLAMINO-1-OXAPROPYL)-3,5-DIIODOBENZOYL]-BENZOFURAN;3-OH-MDEA
Compound Number X1
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C23H25I2NO4
InChI InChI=1S/C23H25I2NO4/c1-3-26-10-11-29-23-17(24)12-15(13-18(23)25)22(28)21-16-6-4-5-7-19(16)30-20(21)9-8-14(2)27/h4-7,12-14,26-27H,3,8-11H2,1-2H3
InChIKey HUCFRTSKJVTUPE-UHFFFAOYSA-N
Literature Reference Author H.R.HA,L.BIGLER,M.BINDER,P.KOZLIK,B.STIEGER,M.HESSE,H.R.ALTO RFER,F.FOLLATH
Literature Reference Citation DRUG.MET.DISP.,29,152(2001)
Molecular Weight 633.265 g/mol
Source File Reference UWLU74437