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(1.alpha,4.beta,9.beta)-Ethyl 5-bromo-3-methyl-9-hydroxy-9-[2-(3-methoxy-2-isopropoxy)phenylethynyl]-3-azabicyclo[3.3.1]nonanecarboxylate

View entire compound with spectra: 1 MS (GC)

(1.alpha,4.beta,9.beta)-Ethyl 5-bromo-3-methyl-9-hydroxy-9-[2-(3-methoxy-2-isopropoxy)phenylethynyl]-3-azabicyclo[3.3.1]nonanecarboxylate
SpectraBase Compound ID CXuI2VDGjap
InChI InChI=1S/C24H32BrNO5/c1-6-30-21(27)22-12-8-13-23(25,16-26(4)15-22)24(22,28)14-11-18-9-7-10-19(29-5)20(18)31-17(2)3/h7,9-10,17,28H,6,8,12-13,15-16H2,1-5H3/t22-,23-,24-/m0/s1
InChIKey GVFWMEXCXPYELV-HJOGWXRNSA-N
Mol Weight 494.4 g/mol
Molecular Formula C24H32BrNO5
Exact Mass 493.146386 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Fuj0s9sWEBS
Name (1.alpha,4.beta,9.beta)-Ethyl 5-bromo-3-methyl-9-hydroxy-9-[2-(3-methoxy-2-isopropoxy)phenylethynyl]-3-azabicyclo[3.3.1]nonanecarboxylate
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Formula C24H32BrNO5
InChI InChI=1S/C24H32BrNO5/c1-6-30-21(27)22-12-8-13-23(25,16-26(4)15-22)24(22,28)14-11-18-9-7-10-19(29-5)20(18)31-17(2)3/h7,9-10,17,28H,6,8,12-13,15-16H2,1-5H3/t22-,23-,24-/m0/s1
InChIKey GVFWMEXCXPYELV-HJOGWXRNSA-N
Molecular Weight 494.426 g/mol
SMILES O[C@]1([C@]2(C(=O)OCC)CN(C[C@@]1(Br)CCC2)C)C#Cc1c(OC(C)C)c(OC)ccc1
SPLASH splash10-03fr-0902600000-60353ba66417f9fd78e5
Source of Spectrum KC-61-3764-16
Synonyms Ethyl (1R,5S,9S)-5-bromo-9-hydroxy-9-[(2-isopropoxy-3-methoxyphenyl)ethynyl]-3-methyl-3-azabicyclo[3.3.1]nonane-1-carboxylate Ethyl 5-bromo-3-methyl-9-exo-hydroxy-9-[2-(3-methoxy-2-isopropoxy)phenylethynyl]-3-azabicyclo[3.3.1]nonanecarboxylate
Wiley ID 1628591