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1-(1-Nitropropyl)-2-phenyl-1,2,3,4-tetrahydroisoquinoline

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

1-(1-Nitropropyl)-2-phenyl-1,2,3,4-tetrahydroisoquinoline
SpectraBase Compound ID 5WxYYJ2ZxvB
InChI InChI=1S/C18H20N2O2/c1-2-17(20(21)22)18-16-11-7-6-8-14(16)12-13-19(18)15-9-4-3-5-10-15/h3-11,17-18H,2,12-13H2,1H3
InChIKey FXHOIRPHUOFWHN-UHFFFAOYSA-N
Mol Weight 296.37 g/mol
Molecular Formula C18H20N2O2
Exact Mass 296.152478 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID 5CS51iVVQiV
Name 1-(1-Nitropropyl)-2-phenyl-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 296.152477890 u
Formula C18H20N2O2
InChI InChI=1S/C18H20N2O2/c1-2-17(20(21)22)18-16-11-7-6-8-14(16)12-13-19(18)15-9-4-3-5-10-15/h3-11,17-18H,2,12-13H2,1H3
InChIKey FXHOIRPHUOFWHN-UHFFFAOYSA-N
SMILES C1=CC=C2C(=C1)CCN(C1=CC=CC=C1)C2C([N+](=O)[O-])CC
Spectrum/Structure Validation Score (Vapor Phase IR) 0.966226