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2-BENZYL-6-CARBOMETHOXY-7-ENDO-[1,1-(ETHYLENEDIOXY)-ETHYL]-ISOQUINUCLIDENE
SpectraBase Compound ID EGFn7qUAKSC
InChI InChI=1S/C20H25NO4/c1-20(24-8-9-25-20)17-11-15-10-16(19(22)23-2)18(17)21(13-15)12-14-6-4-3-5-7-14/h3-7,10,15,17-18H,8-9,11-13H2,1-2H3/t15-,17?,18+/m1/s1
InChIKey UACUPYYOPGSLBT-IKJNGHJTSA-N
Mol Weight 343.42 g/mol
Molecular Formula C20H25NO4
Exact Mass 343.178358 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID RJDgziLlT7
Name 2-Benzyl-6-carbomethoxy-7-exo-[1,1-(ethyl-enedioxy)ethyl]isoquinucildene
CAS Registry Number 120230-14-0
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C20H25NO4
InChI InChI=1S/C20H25NO4/c1-20(24-8-9-25-20)17-11-15-10-16(19(22)23-2)18(17)21(13-15)12-14-6-4-3-5-7-14/h3-7,10,15,17-18H,8-9,11-13H2,1-2H3/t15-,17?,18+/m1/s1
InChIKey UACUPYYOPGSLBT-IKJNGHJTSA-N
Molecular Weight 343.423 g/mol
SMILES C=1([C@]2(C(C3(OCCO3)C)C[C@@](C1)(CN2Cc1ccccc1)[H])[H])C(=O)OC
SPLASH splash10-004l-8290000000-2c9723399a96374baf1c
Source of Spectrum J-54-2900-22
Synonyms 2-Benzyl-6-carbomethoxy-7-endo-[1,1-(ethyl-enedioxy)ethyl]isoquinclidene Methyl (1R,4R,7R)-2-benzyl-7-(2-methyl-1,3-dioxolan-2-yl)-2-azabicyclo[2.2.2]oct-5-ene-6-carboxylate
Wiley ID 1337351