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(3aR,4S,9bR)-8-Chloro-4-phenyl-1,2,3a,4,5,9b-hexahydrofuro[3,2-c]quinoline

View entire compound with spectra: 1 FTIR, and 1 MS (GC)

(3aR,4S,9bR)-8-Chloro-4-phenyl-1,2,3a,4,5,9b-hexahydrofuro[3,2-c]quinoline
SpectraBase Compound ID Ap4LR9swrmc
InChI InChI=1S/C17H16ClNO/c18-12-6-7-15-14(10-12)17-13(8-9-20-17)16(19-15)11-4-2-1-3-5-11/h1-7,10,13,16-17,19H,8-9H2/t13-,16-,17-/m1/s1
InChIKey FNZXKBQNQHNXPH-KBRIMQKVSA-N
Mol Weight 285.77 g/mol
Molecular Formula C17H16ClNO
Exact Mass 285.092042 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID BmeqrDIzuAN
Name (3ar,4S,9br)-8-Chloro-4-phenyl-1,2,3A,4,5,9B-hexahydrofuro[3,2-C]quinoline
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 285.092041838 u
Formula C17H16ClNO
InChI InChI=1S/C17H16ClNO/c18-12-6-7-15-14(10-12)17-13(8-9-20-17)16(19-15)11-4-2-1-3-5-11/h1-7,10,13,16-17,19H,8-9H2/t13-,16-,17-/m1/s1
InChIKey FNZXKBQNQHNXPH-KBRIMQKVSA-N
SMILES [C@]1(NC2=C([C@@]3(OCC[C@]13[H])[H])C=C(C=C2)Cl)(C1=CC=CC=C1)[H]
Spectrum/Structure Validation Score (Vapor Phase IR) 0.834775