N-[9'-Deoxy-epicinchonin-9'-yl]-3,5-dinitrobenzamide

SpectraBase Compound ID	18u1CwsoVWq
InChI	InChI=1S/C26H25N5O5/c1-2-16-15-29-10-8-17(16)13-24(29)25(22-7-9-27-23-6-4-3-5-21(22)23)28-26(32)18-11-19(30(33)34)14-20(12-18)31(35)36/h2-7,9,11-12,14,16-17,24-25H,1,8,10,13,15H2,(H,28,32)/t16-,17-,24+,25+/m0/s1
InChIKey	GCNMIHLFUKAOFJ-WAJMBDEPSA-N Google Search
Mol Weight	487.52 g/mol
Molecular Formula	C26H25N5O5
Exact Mass	487.185569 g/mol

View the Full Spectrum for FREE!

SpectraBase Spectrum ID	2m1DmcCc76F
Name	N-[9'-Deoxy-epicinchonin-9'-yl]-3,5-dinitrobenzamide
Alternate Name(s)	N-[(R)-[(2R,4S,5R)-5-ethenyl-1-azabicyclo[2.2.2]octan-2-yl]-(4-quinolinyl)methyl]-3,5-dinitrobenzamide N-[(R)-[(2R,4S,5R)-5-ethenyl-1-azabicyclo[2.2.2]octan-2-yl]-quinolin-4-ylmethyl]-3,5-dinitrobenzamide N-[(R)-[(2R,4S,5R)-5-ethenyl-1-azabicyclo[2.2.2]octan-2-yl]-quinolin-4-yl-methyl]-3,5-dinitro-benzamide
Comments	Less than 3 mono-isotopic peaks
Copyright	Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula	C26H25N5O5
InChI	InChI=1S/C26H25N5O5/c1-2-16-15-29-10-8-17(16)13-24(29)25(22-7-9-27-23-6-4-3-5-21(22)23)28-26(32)18-11-19(30(33)34)14-20(12-18)31(35)36/h2-7,9,11-12,14,16-17,24-25H,1,8,10,13,15H2,(H,28,32)/t16-,17-,24+,25+/m0/s1
InChIKey	GCNMIHLFUKAOFJ-WAJMBDEPSA-N
Molecular Weight	487.516 g/mol
SMILES	N([C@@]([C@@]1(N2C[C@@]([C@](C1)(CC2)[H])(C=C)[H])[H])(c1c2c(cccc2)ncc1)[H])C(c1cc(N(=O)=O)cc(N(=O)=O)c1)=O
SPLASH	splash10-000i-0900100000-d59339da2496e4511cb1
Source of Spectrum	K1-2003-2860-26
Wiley ID	1521352