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(1.alpha,4.beta)-Ethyl 5-bromo-3-methyl-9-[2-oxo-2-(2-isopropoxy-3-methoxyphenyl)-E-ethylidene]-3-azabicyclo[3.3,1]nonanecarboxylate

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(1.alpha,4.beta)-Ethyl 5-bromo-3-methyl-9-[2-oxo-2-(2-isopropoxy-3-methoxyphenyl)-E-ethylidene]-3-azabicyclo[3.3,1]nonanecarboxylate
SpectraBase Compound ID ArwUYcg1rgs
InChI InChI=1S/C24H32BrNO5/c1-6-30-22(28)23-11-8-12-24(25,15-26(4)14-23)20(23)13-18(27)17-9-7-10-19(29-5)21(17)31-16(2)3/h7,9-10,13,16H,6,8,11-12,14-15H2,1-5H3/b20-13+/t23-,24+/m1/s1
InChIKey BBBXNBZZQFTGOA-CIOMDHTBSA-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 D2PZX83sI4f
Name (1.alpha,4.beta)-Ethyl 5-bromo-3-methyl-9-[2-oxo-2-(2-isopropoxy-3-methoxyphenyl)-E-ethylidene]-3-azabicyclo[3.3,1]nonanecarboxylate
Alternate Name(s) Ethyl (1S,5R,9E)-5-bromo-9-[2-(2-isopropoxy-3-methoxyphenyl)-2-oxoethylidene]-3-methyl-3-azabicyclo[3.3.1]nonane-1-carboxylate Ethyl 5-bromo-3-methyl-9-[2-oxo-2-(2-isopropoxy-3-methoxyphenyl)-E-ethylidene]-3-azabicyclo[3.3,1]nonanecarboxylate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C24H32BrNO5
InChI InChI=1S/C24H32BrNO5/c1-6-30-22(28)23-11-8-12-24(25,15-26(4)14-23)20(23)13-18(27)17-9-7-10-19(29-5)21(17)31-16(2)3/h7,9-10,13,16H,6,8,11-12,14-15H2,1-5H3/b20-13+/t23-,24+/m1/s1
InChIKey BBBXNBZZQFTGOA-CIOMDHTBSA-N
Molecular Weight 494.426 g/mol
SMILES [C@@]12(\C(=C/C(c3c(OC(C)C)c(OC)ccc3)=O)[C@](Br)(CCC1)CN(C2)C)C(=O)OCC
SPLASH splash10-0udi-0922000000-62e23bcc20e03de61125
Source of Spectrum KC-61-3775-14
Wiley ID 1628678