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N-(4-Bromo-3-methyl-phenyl)-N'-(2-piperazin-1-yl-ethyl)-oxalamide

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

N-(4-Bromo-3-methyl-phenyl)-N'-(2-piperazin-1-yl-ethyl)-oxalamide
SpectraBase Compound ID 6CzzpYnYGd6
InChI InChI=1S/C15H21BrN4O2/c1-11-10-12(2-3-13(11)16)19-15(22)14(21)18-6-9-20-7-4-17-5-8-20/h2-3,10,17H,4-9H2,1H3,(H,18,21)(H,19,22)
InChIKey RUCAFCGJYQAWIA-UHFFFAOYSA-N
Mol Weight 369.26 g/mol
Molecular Formula C15H21BrN4O2
Exact Mass 368.084789 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID UxJe45faYN
Name N-(4-Bromo-3-methyl-phenyl)-N'-(2-piperazin-1-yl-ethyl)-oxalamide
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 368.084788930 u
Formula C15H21BrN4O2
InChI InChI=1S/C15H21BrN4O2/c1-11-10-12(2-3-13(11)16)19-15(22)14(21)18-6-9-20-7-4-17-5-8-20/h2-3,10,17H,4-9H2,1H3,(H,18,21)(H,19,22)
InChIKey RUCAFCGJYQAWIA-UHFFFAOYSA-N
Molecular Weight 369.263 g/mol
SMILES C(C(=O)NCCN1CCNCC1)(NC1=CC=C(C(C)=C1)Br)=O
Spectrum/Structure Validation Score (Vapor Phase IR) 0.833947