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4-(4-(allyloxy)-2-methylbenzoyl)-5-(4-bromophenyl)-1-(3-(dimethylammonio)propyl)-2-oxo-2,5-dihydro-1H-pyrrol-3-olate
SpectraBase Compound ID 4ewvExiyIo
InChI InChI=1S/C26H29BrN2O4/c1-5-15-33-20-11-12-21(17(2)16-20)24(30)22-23(18-7-9-19(27)10-8-18)29(26(32)25(22)31)14-6-13-28(3)4/h5,7-12,16,23,31H,1,6,13-15H2,2-4H3
InChIKey QFIHZGGYQGTURA-UHFFFAOYSA-N
Mol Weight 513.43 g/mol
Molecular Formula C26H29BrN2O4
Exact Mass 512.13107 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID BrFCLBl9GQP
Name 4-(4-(allyloxy)-2-methylbenzoyl)-5-(4-bromophenyl)-1-(3-(dimethylammonio)propyl)-2-oxo-2,5-dihydro-1H-pyrrol-3-olate
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/C26H29BrN2O4/c1-5-15-33-20-11-12-21(17(2)16-20)24(30)22-23(18-7-9-19(27)10-8-18)29(26(32)25(22)31)14-6-13-28(3)4/h5,7-12,16,23,31H,1,6,13-15H2,2-4H3
InChIKey QFIHZGGYQGTURA-UHFFFAOYSA-N
NMR Offset 18.0068
NMR Spectrometer Frequency 500.134
Observed nucleus 1H
Origin 1H_CB3_9000_2003
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/11268500