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piperazinediium, 1-[2-[(3-bromo-4-methylphenyl)amino]-2-oxoethyl]-4-(2-hydroxyethyl)-, dichloride

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piperazinediium, 1-[2-[(3-bromo-4-methylphenyl)amino]-2-oxoethyl]-4-(2-hydroxyethyl)-, dichloride
SpectraBase Compound ID JwthGhM8xhx
InChI InChI=1S/C15H22BrN3O2.2ClH/c1-12-2-3-13(10-14(12)16)17-15(21)11-19-6-4-18(5-7-19)8-9-20;;/h2-3,10,20H,4-9,11H2,1H3,(H,17,21);2*1H
InChIKey HTXIDQFKLUPMLH-UHFFFAOYSA-N
Mol Weight 429.19 g/mol
Molecular Formula C15H24BrCl2N3O2
Exact Mass 427.042895 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID AAUOzr4bIsM
Name piperazinediium, 1-[2-[(3-bromo-4-methylphenyl)amino]-2-oxoethyl]-4-(2-hydroxyethyl)-, dichloride
Copyright Copyright © 2022-2025 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright © 2022-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 427.042895423 u
Formula C15H24BrCl2N3O2
InChI InChI=1S/C15H22BrN3O2.2ClH/c1-12-2-3-13(10-14(12)16)17-15(21)11-19-6-4-18(5-7-19)8-9-20;;/h2-3,10,20H,4-9,11H2,1H3,(H,17,21);2*1H
InChIKey HTXIDQFKLUPMLH-UHFFFAOYSA-N
Molecular Weight 429.186 g/mol
NMR Offset 18.0068
NMR Spectrometer Frequency 500.134
Observed nucleus 1H
Sample State Soluted
Sample_ID 1H_CB_2017_17740
Solvent DMSO-d6
Source Vendor ID: NMR/11240497; Lab Info: JMR; Lab Number: JMR-0000039