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4-bromo-2-((4-(ethylsulfonyl)piperazin-1-yl)methyl)phenol oxalate

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4-bromo-2-((4-(ethylsulfonyl)piperazin-1-yl)methyl)phenol oxalate
SpectraBase Compound ID Hz0LqOWfoxq
InChI InChI=1S/C13H19BrN2O3S.C2H2O4/c1-2-20(18,19)16-7-5-15(6-8-16)10-11-9-12(14)3-4-13(11)17;3-1(4)2(5)6/h3-4,9,17H,2,5-8,10H2,1H3;(H,3,4)(H,5,6)
InChIKey QEDFBCUUWSGVEZ-UHFFFAOYSA-N
Mol Weight 453.3 g/mol
Molecular Formula C15H21BrN2O7S
Exact Mass 452.025285 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID CnNTZbCZGSN
Name 4-bromo-2-((4-(ethylsulfonyl)piperazin-1-yl)methyl)phenol oxalate
Author A.V.Yarkov, IPAC, Russia
Copyright Copyright © 2016-2024 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright © 2016-2021 John Wiley & Sons, Inc. All Rights Reserved.
InChI InChI=1S/C13H19BrN2O3S.C2H2O4/c1-2-20(18,19)16-7-5-15(6-8-16)10-11-9-12(14)3-4-13(11)17;3-1(4)2(5)6/h3-4,9,17H,2,5-8,10H2,1H3;(H,3,4)(H,5,6)
InChIKey QEDFBCUUWSGVEZ-UHFFFAOYSA-N
NMR Offset 18.0068
NMR Spectrometer Frequency 500.134
Observed nucleus 1H
Origin 1H_CB_8313_128
Owner Copyright (C) 2016 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright (C) 2016 John Wiley & Sons, Inc.
Sample State soluted
Solvent DMSO-d6
Source File Reference VendorID: NMR/11219759