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3-(benzoylamino)-1-[2-(4-methyl-3-nitrophenyl)-2-oxoethyl]pyridinium bromide
SpectraBase Compound ID GfYry5neII6
InChI InChI=1S/C21H17N3O4.BrH/c1-15-9-10-17(12-19(15)24(27)28)20(25)14-23-11-5-8-18(13-23)22-21(26)16-6-3-2-4-7-16;/h2-13H,14H2,1H3;1H
InChIKey JWDQSFMEVQSIRX-UHFFFAOYSA-N
Mol Weight 456.3 g/mol
Molecular Formula C21H18BrN3O4
Exact Mass 455.048069 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 4GAMmBfPF9d
Name 3-(benzoylamino)-1-[2-(4-methyl-3-nitrophenyl)-2-oxoethyl]pyridinium 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/C21H17N3O4.BrH/c1-15-9-10-17(12-19(15)24(27)28)20(25)14-23-11-5-8-18(13-23)22-21(26)16-6-3-2-4-7-16;/h2-13H,14H2,1H3;1H
InChIKey JWDQSFMEVQSIRX-UHFFFAOYSA-N
NMR Offset 15.449
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_UBI-VK_18310_18140
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: 987/00006795; Labnumber: 987/00006795218883; VK_ID: VK-018147
Temperature 308 °C