N-[9'-Deoxy-epicinchonin-9'-yl]-4-(t-butyl)benzamide

SpectraBase Compound ID	9Fyce0aFFfS
InChI	InChI=1S/C30H35N3O/c1-5-20-19-33-17-15-22(20)18-27(33)28(25-14-16-31-26-9-7-6-8-24(25)26)32-29(34)21-10-12-23(13-11-21)30(2,3)4/h5-14,16,20,22,27-28H,1,15,17-19H2,2-4H3,(H,32,34)/t20-,22-,27+,28+/m0/s1
InChIKey	JUYPNMSAFBKZJJ-LBYMPWFASA-N Google Search
Mol Weight	453.6 g/mol
Molecular Formula	C30H35N3O
Exact Mass	453.278013 g/mol

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SpectraBase Spectrum ID	4Ke35zHJPr5
Name	N-[9'-Deoxy-epicinchonin-9'-yl]-4-(t-butyl)benzamide
Alternate Name(s)	4-tert-butyl-N-[(R)-[(2R,4S,5R)-5-ethenyl-1-azabicyclo[2.2.2]octan-2-yl]-(4-quinolinyl)methyl]benzamide 4-tert-butyl-N-[(R)-[(2R,4S,5R)-5-ethenyl-1-azabicyclo[2.2.2]octan-2-yl]-quinolin-4-ylmethyl]benzamide 4-tert-butyl-N-[(R)-[(2R,4S,5R)-5-ethenyl-1-azabicyclo[2.2.2]octan-2-yl]-quinolin-4-yl-methyl]benzamide
Comments	Less than 3 mono-isotopic peaks
Copyright	Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula	C30H35N3O
InChI	InChI=1S/C30H35N3O/c1-5-20-19-33-17-15-22(20)18-27(33)28(25-14-16-31-26-9-7-6-8-24(25)26)32-29(34)21-10-12-23(13-11-21)30(2,3)4/h5-14,16,20,22,27-28H,1,15,17-19H2,2-4H3,(H,32,34)/t20-,22-,27+,28+/m0/s1
InChIKey	JUYPNMSAFBKZJJ-LBYMPWFASA-N
Molecular Weight	453.630 g/mol
SMILES	N([C@@]([C@@]1(N2C[C@@]([C@](C1)(CC2)[H])(C=C)[H])[H])(c1c2c(cccc2)ncc1)[H])C(c1ccc(C(C)(C)C)cc1)=O
SPLASH	splash10-0ik9-0900400000-ca11ed619b52410ed3ac
Source of Spectrum	K1-2003-2859-21
Wiley ID	1521355