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Acetic acid (S)-(5-benzofuran-2-yl-1-aza-bicyclo[2.2.2]oct-2-yl)-(6-methoxy-quinolin-4-yl)-methyl ester
SpectraBase Compound ID FOrtGlcrnz9
InChI InChI=1S/C28H28N2O4/c1-17(31)33-28(21-9-11-29-24-8-7-20(32-2)15-22(21)24)25-13-18-10-12-30(25)16-23(18)27-14-19-5-3-4-6-26(19)34-27/h3-9,11,14-15,18,23,25,28H,10,12-13,16H2,1-2H3/t18-,23-,25?,28+/m1/s1
InChIKey DWPOQFIVGNBCEQ-PADLLJQOSA-N
Mol Weight 456.54 g/mol
Molecular Formula C28H28N2O4
Exact Mass 456.204907 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 7iILrxlUV7a
Name Acetic acid (S)-(5-benzofuran-2-yl-1-aza-bicyclo[2.2.2]oct-2-yl)-(6-methoxy-quinolin-4-yl)-methyl ester
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C28H28N2O4
InChI InChI=1S/C28H28N2O4/c1-17(31)33-28(21-9-11-29-24-8-7-20(32-2)15-22(21)24)25-13-18-10-12-30(25)16-23(18)27-14-19-5-3-4-6-26(19)34-27/h3-9,11,14-15,18,23,25,28H,10,12-13,16H2,1-2H3/t18-,23-,25?,28+/m1/s1
InChIKey DWPOQFIVGNBCEQ-PADLLJQOSA-N
Molecular Weight 456.542 g/mol
SMILES c1([C@@]2(CN3CC[C@@]2(CC3[C@](c2c3c(ccc(c3)OC)ncc2)(OC(=O)C)[H])[H])[H])oc2ccccc2c1
SPLASH splash10-004u-0940000000-ce7712ad0f2218e95751
Source of Spectrum K-2001-57-21
Synonyms (3S,4S,8R,9S)-9-Acetoxy-3-benzofuryl-6'-methoxycinchonan (S)-[5-(1-benzofuran-2-yl)-1-azabicyclo[2.2.2]oct-2-yl](6-methoxy-4-quinolinyl)methyl acetate
Wiley ID 1578343