(2S / 2R)-2-(3''-Nitrophenyl)-(octahydro)-pyrano[2,3-c]quinoline

SpectraBase Compound ID	KTHOFfWCyTA
InChI	InChI=1S/C18H18N2O3/c21-20(22)13-6-3-5-12(11-13)17-15-8-4-10-23-18(15)14-7-1-2-9-16(14)19-17/h1-3,5-7,9,11,15,17-19H,4,8,10H2
InChIKey	ZMRSJQVUGWWABP-UHFFFAOYSA-N Google Search
Mol Weight	310.35 g/mol
Molecular Formula	C18H18N2O3
Exact Mass	310.131742 g/mol

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SpectraBase Spectrum ID	80vvvxHpBwc
Name	(2S / 2R)-2-(3''-Nitrophenyl)-(octahydro)-pyrano[2,3-C]quinoline
Comments	Computed using SmartSpectra Model v1.42
Copyright	Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass	310.131742445 u
Formula	C18H18N2O3
InChI	InChI=1S/C18H18N2O3/c21-20(22)13-6-3-5-12(11-13)17-15-8-4-10-23-18(15)14-7-1-2-9-16(14)19-17/h1-3,5-7,9,11,15,17-19H,4,8,10H2
InChIKey	ZMRSJQVUGWWABP-UHFFFAOYSA-N
Molecular Weight	310.353 g/mol
SMILES	C1(NC2=C(C3OCCCC13)C=CC=C2)C=1C=C(N(=O)=O)C=CC1
Spectrum/Structure Validation Score (Vapor Phase IR)	0.829047