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1-(1-Nitroethyl)-2-p-tolyl-1,2,3,4-tetrahydroisoquinoline

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

1-(1-Nitroethyl)-2-p-tolyl-1,2,3,4-tetrahydroisoquinoline
SpectraBase Compound ID CDcLxHWpqaq
InChI InChI=1S/C18H20N2O2/c1-13-7-9-16(10-8-13)19-12-11-15-5-3-4-6-17(15)18(19)14(2)20(21)22/h3-10,14,18H,11-12H2,1-2H3
InChIKey YJBHJAWEIWIDPA-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 7a7RgeDwux4
Name 1-(1-Nitroethyl)-2-p-tolyl-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/c1-13-7-9-16(10-8-13)19-12-11-15-5-3-4-6-17(15)18(19)14(2)20(21)22/h3-10,14,18H,11-12H2,1-2H3
InChIKey YJBHJAWEIWIDPA-UHFFFAOYSA-N
SMILES C1=CC=C2C(=C1)CCN(C1=CC=C(C=C1)C)C2C([N+](=O)[O-])C
Spectrum/Structure Validation Score (Vapor Phase IR) 0.942915