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2-(4-Bromophenyl)-1-(1-nitroethyl)-1,2,3,4-tetrahydroisoquinoline

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

2-(4-Bromophenyl)-1-(1-nitroethyl)-1,2,3,4-tetrahydroisoquinoline
SpectraBase Compound ID HSBZbspX756
InChI InChI=1S/C17H17BrN2O2/c1-12(20(21)22)17-16-5-3-2-4-13(16)10-11-19(17)15-8-6-14(18)7-9-15/h2-9,12,17H,10-11H2,1H3
InChIKey BPVRWQKDXONWPB-UHFFFAOYSA-N
Mol Weight 361.24 g/mol
Molecular Formula C17H17BrN2O2
Exact Mass 360.047341 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID 5bSDSPJE4RE
Name 2-(4-Bromophenyl)-1-(1-nitroethyl)-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 360.047340793 u
Formula C17H17BrN2O2
InChI InChI=1S/C17H17BrN2O2/c1-12(20(21)22)17-16-5-3-2-4-13(16)10-11-19(17)15-8-6-14(18)7-9-15/h2-9,12,17H,10-11H2,1H3
InChIKey BPVRWQKDXONWPB-UHFFFAOYSA-N
Molecular Weight 361.239 g/mol
SMILES C1=CC=C2C(=C1)CCN(C1=CC=C(C=C1)Br)C2C([N+](=O)[O-])C
Spectrum/Structure Validation Score (Vapor Phase IR) 0.871601