(6R,6aS,11bS)-4-Bromo-6-pyridin-2-yl-5,6a,7,11b-tetrahydro-6H-indeno[2,1-c]quinoline

SpectraBase Compound ID	3r1VSvMA1xJ
InChI	InChI=1S/C21H17BrN2/c22-17-9-5-8-15-19-14-7-2-1-6-13(14)12-16(19)21(24-20(15)17)18-10-3-4-11-23-18/h1-11,16,19,21,24H,12H2/t16-,19-,21+/m0/s1
InChIKey	ONWUWCQZCRVKGT-NBHGPNQESA-N Google Search
Mol Weight	377.29 g/mol
Molecular Formula	C21H17BrN2
Exact Mass	376.057512 g/mol

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SpectraBase Spectrum ID	6PHxJNXKynq
Name	(6R,6as,11Bs)-4-bromo-6-pyridin-2-yl-5,6A,7,11B-tetrahydro-6H-indeno[2,1-C]quinoline
Comments	Computed using SmartSpectra Model v1.42
Copyright	Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass	376.057511555 u
Formula	C21H17BrN2
InChI	InChI=1S/C21H17BrN2/c22-17-9-5-8-15-19-14-7-2-1-6-13(14)12-16(19)21(24-20(15)17)18-10-3-4-11-23-18/h1-11,16,19,21,24H,12H2/t16-,19-,21+/m0/s1
InChIKey	ONWUWCQZCRVKGT-NBHGPNQESA-N
Molecular Weight	377.285 g/mol
SMILES	[C@]12([C@@]([C@@](C=3N=CC=CC3)([H])NC3=C1C=CC=C3Br)(CC1=C2C=CC=C1)[H])[H]
Spectrum/Structure Validation Score (Vapor Phase IR)	0.971713