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

View entire compound with spectra: 1 NMR

4-bromo-2-((4-(naphthalen-2-ylsulfonyl)piperazin-1-yl)methyl)phenol oxalate
SpectraBase Compound ID 8CLKtVF1oid
InChI InChI=1S/C21H21BrN2O3S.C2H2O4/c22-19-6-8-21(25)18(13-19)15-23-9-11-24(12-10-23)28(26,27)20-7-5-16-3-1-2-4-17(16)14-20;3-1(4)2(5)6/h1-8,13-14,25H,9-12,15H2;(H,3,4)(H,5,6)
InChIKey ZQNJAMQWSCLCED-UHFFFAOYSA-N
Mol Weight 551.41 g/mol
Molecular Formula C23H23BrN2O7S
Exact Mass 550.040935 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 290QB8rItP2
Name 4-bromo-2-((4-(naphthalen-2-ylsulfonyl)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/C21H21BrN2O3S.C2H2O4/c22-19-6-8-21(25)18(13-19)15-23-9-11-24(12-10-23)28(26,27)20-7-5-16-3-1-2-4-17(16)14-20;3-1(4)2(5)6/h1-8,13-14,25H,9-12,15H2;(H,3,4)(H,5,6)
InChIKey ZQNJAMQWSCLCED-UHFFFAOYSA-N
NMR Offset 18.0068
NMR Spectrometer Frequency 500.134
Observed nucleus 1H
Origin 1H_CB3_9000_2832
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/11269634