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N-[endo-9-Methyl-9-azabicyclo[3.3.1]non-3-yl]-N-[(4-nitrophenoxy)carbonyl]-N'-(5-chloro-2-methoxyphenyl)-1,2-diaminoethane

View entire compound with spectra: 1 MS (GC)

N-[endo-9-Methyl-9-azabicyclo[3.3.1]non-3-yl]-N-[(4-nitrophenoxy)carbonyl]-N'-(5-chloro-2-methoxyphenyl)-1,2-diaminoethane
SpectraBase Compound ID FkoSXLZGxOq
InChI InChI=1S/C25H31ClN4O5/c1-28-19-4-3-5-20(28)16-21(15-19)29(13-12-27-23-14-17(26)6-11-24(23)34-2)25(31)35-22-9-7-18(8-10-22)30(32)33/h6-11,14,19-21,27H,3-5,12-13,15-16H2,1-2H3/t19-,20+,21?
InChIKey KATBDORGFDJLQD-WCRBZPEASA-N
Mol Weight 503.0 g/mol
Molecular Formula C25H31ClN4O5
Exact Mass 502.198298 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID JslmOwFgfDL
Name N-[endo-9-Methyl-9-azabicyclo[3.3.1]non-3-yl]-N-[(4-nitrophenoxy)carbonyl]-N'-(5-chloro-2-methoxyphenyl)-1,2-diaminoethane
Alternate Name(s) 4-Nitrophenyl 2-(5-chloro-2-methoxyanilino)ethyl(9-methyl-9-azabicyclo[3.3.1]non-3-yl)carbamate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C25H31ClN4O5
InChI InChI=1S/C25H31ClN4O5/c1-28-19-4-3-5-20(28)16-21(15-19)29(13-12-27-23-14-17(26)6-11-24(23)34-2)25(31)35-22-9-7-18(8-10-22)30(32)33/h6-11,14,19-21,27H,3-5,12-13,15-16H2,1-2H3/t19-,20+,21?
InChIKey KATBDORGFDJLQD-WCRBZPEASA-N
Molecular Weight 502.999 g/mol
SMILES N(c1cc(Cl)ccc1OC)CCN(C1C[C@]2(CCC[C@](N2C)(C1)[H])[H])C(Oc1ccc(N(=O)=O)cc1)=O
SPLASH splash10-000i-0905000000-c46ee5c5da9f8d2c0e6e
Source of Spectrum F2-40-3377-20
Wiley ID 1599402