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[4-(3-Bromo-phenyl)-piperazin-1-yl]-(3,4,5-trimethoxy-phenyl)-methanone

View entire compound with spectra: 1 NMR, and 1 FTIR

[4-(3-Bromo-phenyl)-piperazin-1-yl]-(3,4,5-trimethoxy-phenyl)-methanone
SpectraBase Compound ID 8akp9gwe1QA
InChI InChI=1S/C20H23BrN2O4/c1-25-17-11-14(12-18(26-2)19(17)27-3)20(24)23-9-7-22(8-10-23)16-6-4-5-15(21)13-16/h4-6,11-13H,7-10H2,1-3H3
InChIKey KDJPPYZDDMVADX-UHFFFAOYSA-N
Mol Weight 435.32 g/mol
Molecular Formula C20H23BrN2O4
Exact Mass 434.08412 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID RtC1t72HXv
Name [4-(3-Bromo-phenyl)-piperazin-1-yl]-(3,4,5-trimethoxy-phenyl)-methanone
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 434.084120225 u
Formula C20H23BrN2O4
InChI InChI=1S/C20H23BrN2O4/c1-25-17-11-14(12-18(26-2)19(17)27-3)20(24)23-9-7-22(8-10-23)16-6-4-5-15(21)13-16/h4-6,11-13H,7-10H2,1-3H3
InChIKey KDJPPYZDDMVADX-UHFFFAOYSA-N
Molecular Weight 435.318 g/mol
SMILES C1(=CC(OC)=C(C(=C1)OC)OC)C(N1CCN(CC1)C1=CC(=CC=C1)Br)=O
Spectrum/Structure Validation Score (Vapor Phase IR) 0.871032