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Isoquinoline, 1,2,3,4-tetrahydro-1-(4-fluorophenyl)-6,7-dimethoxy-

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

Isoquinoline, 1,2,3,4-tetrahydro-1-(4-fluorophenyl)-6,7-dimethoxy-
SpectraBase Compound ID ClzaiGnU4kD
InChI InChI=1S/C17H18FNO2/c1-20-15-9-12-7-8-19-17(14(12)10-16(15)21-2)11-3-5-13(18)6-4-11/h3-6,9-10,17,19H,7-8H2,1-2H3
InChIKey KWBPKDVQTDDUMU-UHFFFAOYSA-N
Mol Weight 287.33 g/mol
Molecular Formula C17H18FNO2
Exact Mass 287.132157 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID Fnxn89km6px
Name Isoquinoline, 1,2,3,4-tetrahydro-1-(4-fluorophenyl)-6,7-dimethoxy-
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 287.132156985 u
Formula C17H18FNO2
InChI InChI=1S/C17H18FNO2/c1-20-15-9-12-7-8-19-17(14(12)10-16(15)21-2)11-3-5-13(18)6-4-11/h3-6,9-10,17,19H,7-8H2,1-2H3
InChIKey KWBPKDVQTDDUMU-UHFFFAOYSA-N
Molecular Weight 287.334 g/mol
SMILES C=12C(NCCC2=CC(=C(C1)OC)OC)C1=CC=C(C=C1)F
Spectrum/Structure Validation Score (Vapor Phase IR) 0.864775