N-[9'-Deoxy-epicinchonin-9'-yl]-2,4-dinitrophenylamine

SpectraBase Compound ID	2F3m51HQZkP
InChI	InChI=1S/C25H25N5O4/c1-2-16-15-28-12-10-17(16)13-24(28)25(20-9-11-26-21-6-4-3-5-19(20)21)27-22-8-7-18(29(31)32)14-23(22)30(33)34/h2-9,11,14,16-17,24-25,27H,1,10,12-13,15H2/t16-,17-,24+,25+/m0/s1
InChIKey	RGXMRXUQHQWKFE-WAJMBDEPSA-N Google Search
Mol Weight	459.51 g/mol
Molecular Formula	C25H25N5O4
Exact Mass	459.190654 g/mol

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SpectraBase Spectrum ID	DrIjmmPJfEs
Name	N-[9'-Deoxy-epicinchonin-9'-yl]-2,4-dinitrophenylamine
Alternate Name(s)	N-[(R)-[(2R,4S,5R)-5-ethenyl-1-azabicyclo[2.2.2]octan-2-yl]-(4-quinolinyl)methyl]-2,4-dinitroaniline N-[(R)-[(2R,4S,5R)-5-ethenyl-1-azabicyclo[2.2.2]octan-2-yl]-quinolin-4-ylmethyl]-2,4-dinitroaniline 2,4-dinitro-N-[(R)-4-quinolyl-[(2R,4S,5R)-5-vinylquinuclidin-2-yl]methyl]aniline N-[(R)-[(2R,4S,5R)-5-ethenyl-1-azabicyclo[2.2.2]octan-2-yl]-quinolin-4-yl-methyl]-2,4-dinitro-aniline
Comments	Less than 3 mono-isotopic peaks
Copyright	Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula	C25H25N5O4
InChI	InChI=1S/C25H25N5O4/c1-2-16-15-28-12-10-17(16)13-24(28)25(20-9-11-26-21-6-4-3-5-19(20)21)27-22-8-7-18(29(31)32)14-23(22)30(33)34/h2-9,11,14,16-17,24-25,27H,1,10,12-13,15H2/t16-,17-,24+,25+/m0/s1
InChIKey	RGXMRXUQHQWKFE-WAJMBDEPSA-N
Molecular Weight	459.506 g/mol
SMILES	N([C@@]([C@@]1(N2C[C@@]([C@](C1)(CC2)[H])(C=C)[H])[H])(c1c2c(cccc2)ncc1)[H])c1c(N(=O)=O)cc(N(=O)=O)cc1
SPLASH	splash10-000i-0900300000-86d2910b49b2edcf475a
Source of Spectrum	K1-2003-2861-40
Wiley ID	1521350