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3-Ethyl-7-{1-oxo-2-[2-(2,2,2-trichlorethoxycarbonyl)aminophenyl]ethyl}-5-azabicyclo[2.2.2]oct-2-en-5-carbonsaure-methylester

View entire compound with spectra: 1 MS (GC)

3-Ethyl-7-{1-oxo-2-[2-(2,2,2-trichlorethoxycarbonyl)aminophenyl]ethyl}-5-azabicyclo[2.2.2]oct-2-en-5-carbonsaure-methylester
SpectraBase Compound ID FMQNzgsTpYI
InChI InChI=1S/C22H25Cl3N2O5/c1-3-13-8-15-11-27(21(30)31-2)18(13)10-16(15)19(28)9-14-6-4-5-7-17(14)26-20(29)32-12-22(23,24)25/h4-8,15-16,18H,3,9-12H2,1-2H3,(H,26,29)/t15-,16?,18+/m0/s1
InChIKey WRPIENCKELGWBT-NANQTSIFSA-N
Mol Weight 503.81 g/mol
Molecular Formula C22H25Cl3N2O5
Exact Mass 502.082905 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 3CKpK5dikAL
Name 3-Ethyl-7-{1-oxo-2-[2-(2,2,2-trichlorethoxycarbonyl)aminophenyl]ethyl}-5-azabicyclo[2.2.2]oct-2-en-5-carbonsaure-methylester
Alternate Name(s) Methyl 6-ethyl-8-[(2-{[(2,2,2-trichloroethoxy)carbonyl]amino}phenyl)acetyl]-2-azabicyclo[2.2.2]oct-5-ene-2-carboxylate
CAS Registry Number 104737-45-3
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C22H25Cl3N2O5
InChI InChI=1S/C22H25Cl3N2O5/c1-3-13-8-15-11-27(21(30)31-2)18(13)10-16(15)19(28)9-14-6-4-5-7-17(14)26-20(29)32-12-22(23,24)25/h4-8,15-16,18H,3,9-12H2,1-2H3,(H,26,29)/t15-,16?,18+/m0/s1
InChIKey WRPIENCKELGWBT-NANQTSIFSA-N
Molecular Weight 503.810 g/mol
SMILES N(C(=O)OCC(Cl)(Cl)Cl)c1c(CC(C2[C@@]3(CN([C@@](C(CC)=C3)(C2)[H])C(=O)OC)[H])=O)cccc1
SPLASH splash10-014i-0900000000-84e986b4b07bd7b6ef0e
Source of Spectrum H-68-1843-20
Wiley ID 1399142