N-[(2S,3S,4S)-1-Acetyl-6-methoxy-3-methyl-2-phenyl-1,2,3,4-tetrahydroquinolin-4-yl]acetamide

SpectraBase Compound ID	7rYdKvaPFEu
InChI	InChI=1S/C21H24N2O3/c1-13-20(22-14(2)24)18-12-17(26-4)10-11-19(18)23(15(3)25)21(13)16-8-6-5-7-9-16/h5-13,20-21H,1-4H3,(H,22,24)/t13-,20-,21-/m0/s1
InChIKey	FDATVWQNKUJWIS-ZEWGMFERSA-N Google Search
Mol Weight	352.43 g/mol
Molecular Formula	C21H24N2O3
Exact Mass	352.178693 g/mol

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SpectraBase Spectrum ID	7WpKIlqwWwp
Name	N-[(2S,3S,4S)-1-Acetyl-6-methoxy-3-methyl-2-phenyl-1,2,3,4-tetrahydroquinolin-4-yl]acetamide
Comments	Computed using SmartSpectra Model v1.42
Copyright	Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass	352.178692638 u
Formula	C21H24N2O3
InChI	InChI=1S/C21H24N2O3/c1-13-20(22-14(2)24)18-12-17(26-4)10-11-19(18)23(15(3)25)21(13)16-8-6-5-7-9-16/h5-13,20-21H,1-4H3,(H,22,24)/t13-,20-,21-/m0/s1
InChIKey	FDATVWQNKUJWIS-ZEWGMFERSA-N
Molecular Weight	352.434 g/mol
SMILES	C(C)(=O)N[C@@]1(C2=C(N([C@@]([C@]1(C)[H])(C1=CC=CC=C1)[H])C(=O)C)C=CC(=C2)OC)[H]
Spectrum/Structure Validation Score (Vapor Phase IR)	0.918864