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2-(4-Fluorophenyl)-1-nitromethyl-1,2,3,4-tetrahydroisoquinoline

View entire compound with spectra: 1 FTIR, and 2 MS (GC)

2-(4-Fluorophenyl)-1-nitromethyl-1,2,3,4-tetrahydroisoquinoline
SpectraBase Compound ID F6nVRuAD1Sl
InChI InChI=1S/C16H15FN2O2/c17-13-5-7-14(8-6-13)18-10-9-12-3-1-2-4-15(12)16(18)11-19(20)21/h1-8,16H,9-11H2
InChIKey MVYPVJIODVJOJE-UHFFFAOYSA-N
Mol Weight 286.31 g/mol
Molecular Formula C16H15FN2O2
Exact Mass 286.111756 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID 10wtiy0Uf73
Name 2-(4-Fluorophenyl)-1-nitromethyl-1,2,3,4-tetrahydroisoquinoline
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 286.111755892 u
Formula C16H15FN2O2
InChI InChI=1S/C16H15FN2O2/c17-13-5-7-14(8-6-13)18-10-9-12-3-1-2-4-15(12)16(18)11-19(20)21/h1-8,16H,9-11H2
InChIKey MVYPVJIODVJOJE-UHFFFAOYSA-N
Molecular Weight 286.306 g/mol
SMILES C1=CC=C2C(=C1)CCN(C1=CC=C(C=C1)F)C2C[N+](=O)[O-]
Spectrum/Structure Validation Score (Vapor Phase IR) 0.830697