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2-{[2-(4-nitrophenyl)-2-oxoethyl]sulfanyl}quinolinium bromide
SpectraBase Compound ID JLrGxV3dKey
InChI InChI=1S/C17H12N2O3S.BrH/c20-16(13-5-8-14(9-6-13)19(21)22)11-23-17-10-7-12-3-1-2-4-15(12)18-17;/h1-10H,11H2;1H
InChIKey VJDMCRQDYCTCJS-UHFFFAOYSA-N
Mol Weight 405.27 g/mol
Molecular Formula C17H13BrN2O3S
Exact Mass 403.983026 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID FncGQju05M6
Name 2-{[2-(4-nitrophenyl)-2-oxoethyl]sulfanyl}quinolinium bromide
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/C17H12N2O3S.BrH/c20-16(13-5-8-14(9-6-13)19(21)22)11-23-17-10-7-12-3-1-2-4-15(12)18-17;/h1-10H,11H2;1H
InChIKey VJDMCRQDYCTCJS-UHFFFAOYSA-N
NMR Offset 15.328
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_SBI_36227_9392
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: D54427; Labnumber: BRANC-663; SBI_ID: SBI-009395
Temperature 318 °C