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rac-[(2R,4aS,5R,8aS)-5-Methyl-2-propyl-octahydroquinolin-1-yl]-(4-nitrophenyl)methanone
SpectraBase Compound ID 6nuLn0ldRoc
InChI InChI=1S/C20H28N2O3/c1-3-5-16-12-13-18-14(2)6-4-7-19(18)21(16)20(23)15-8-10-17(11-9-15)22(24)25/h8-11,14,16,18-19H,3-7,12-13H2,1-2H3/t14-,16-,18+,19+/m1/s1
InChIKey WKLQHHYPCAWGOY-JZGRTCEGSA-N
Mol Weight 344.46 g/mol
Molecular Formula C20H28N2O3
Exact Mass 344.209993 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID IABwYlO1QTZ
Name rac-[(2R,4aS,5R,8aS)-5-Methyl-2-propyl-octahydroquinolin-1-yl]-(4-nitrophenyl)methanone
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C20H28N2O3
InChI InChI=1S/C20H28N2O3/c1-3-5-16-12-13-18-14(2)6-4-7-19(18)21(16)20(23)15-8-10-17(11-9-15)22(24)25/h8-11,14,16,18-19H,3-7,12-13H2,1-2H3/t14-,16-,18+,19+/m1/s1
InChIKey WKLQHHYPCAWGOY-JZGRTCEGSA-N
Molecular Weight 344.455 g/mol
SMILES [C@@]12(N([C@@](CC[C@]2([C@](C)(CCC1)[H])[H])(CCC)[H])C(c1ccc(N(=O)=O)cc1)=O)[H]
SPLASH splash10-0udi-0419000000-830149116999b90a492c
Source of Spectrum C5-2004-3052-14
Wiley ID 1617690