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4-Bromo 5-[4-phenylpiperazin-1-yl]veratrole

View entire compound with spectra: 1 FTIR

4-Bromo 5-[4-phenylpiperazin-1-yl]veratrole
SpectraBase Compound ID 8r91OAo1ZzN
InChI InChI=1S/C18H21BrN2O2/c1-22-17-12-15(19)16(13-18(17)23-2)21-10-8-20(9-11-21)14-6-4-3-5-7-14/h3-7,12-13H,8-11H2,1-2H3
InChIKey RSANPMNMWVUJMC-UHFFFAOYSA-N
Mol Weight 377.28 g/mol
Molecular Formula C18H21BrN2O2
Exact Mass 376.078641 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID LIPMUKSSi9w
Name 4-Bromo 5-[4-phenylpiperazin-1-yl]veratrole
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 376.078640922 u
Formula C18H21BrN2O2
InChI InChI=1S/C18H21BrN2O2/c1-22-17-12-15(19)16(13-18(17)23-2)21-10-8-20(9-11-21)14-6-4-3-5-7-14/h3-7,12-13H,8-11H2,1-2H3
InChIKey RSANPMNMWVUJMC-UHFFFAOYSA-N
Molecular Weight 377.282 g/mol
SMILES C1(=CC(OC)=C(C=C1Br)OC)N1CCN(CC1)C1=CC=CC=C1
Spectrum/Structure Validation Score (Vapor Phase IR) 0.940676