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Ethyl 5-bromo-3-methyl-9-exo-hydroxy-9-[2-(3-methoxy-2-acetoxy)phenyl-Z-ethenyl]-3-azabicyclo[3.3.1]nonanecarboxylate
SpectraBase Compound ID GdADsrmXKG1
InChI InChI=1S/C23H30BrNO6/c1-5-30-20(27)21-11-7-12-22(24,15-25(3)14-21)23(21,28)13-10-17-8-6-9-18(29-4)19(17)31-16(2)26/h6,8-10,13,28H,5,7,11-12,14-15H2,1-4H3/b13-10-/t21-,22-,23+/m0/s1
InChIKey KBNVAFZYWPZSPY-OAWFHSOHSA-N
Mol Weight 496.4 g/mol
Molecular Formula C23H30BrNO6
Exact Mass 495.125651 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 8Fuxp5p1Nhh
Name Ethyl 5-bromo-3-methyl-9-exo-hydroxy-9-[2-(3-methoxy-2-acetoxy)phenyl-Z-ethenyl]-3-azabicyclo[3.3.1]nonanecarboxylate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C23H30BrNO6
InChI InChI=1S/C23H30BrNO6/c1-5-30-20(27)21-11-7-12-22(24,15-25(3)14-21)23(21,28)13-10-17-8-6-9-18(29-4)19(17)31-16(2)26/h6,8-10,13,28H,5,7,11-12,14-15H2,1-4H3/b13-10-/t21-,22-,23+/m0/s1
InChIKey KBNVAFZYWPZSPY-OAWFHSOHSA-N
Molecular Weight 496.398 g/mol
SMILES O[C@@]1([C@]2(C(=O)OCC)CN(C[C@@]1(Br)CCC2)C)\C=C/c1c(OC(=O)C)c(OC)ccc1
SPLASH splash10-00dj-3894800000-6c1db410fab25f650805
Source of Spectrum KC-61-3766-22
Synonyms Ethyl 9-{(Z)-2-[2-(acetyloxy)-3-methoxyphenyl]ethenyl}-5-bromo-9-hydroxy-3-methyl-3-azabicyclo[3.3.1]nonane-1-carboxylate
Wiley ID 1628585