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3-(iodomethyl)-1-[(4-methylphenyl)sulfonyl]-1H,2H,3H-pyrido[1,2,3-de]quinoxalin-4-ium iodide
SpectraBase Compound ID 3QNMNp2UAwN
InChI InChI=1S/C19H18IN2O2S.HI/c1-14-7-9-17(10-8-14)25(23,24)22-13-16(12-20)21-11-3-5-15-4-2-6-18(22)19(15)21;/h2-11,16H,12-13H2,1H3;1H/q+1;/p-1
InChIKey MKFJWCNPQWWSBE-UHFFFAOYSA-M
Mol Weight 592.23 g/mol
Molecular Formula C19H18I2N2O2S
Exact Mass 591.917839 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID Cx1RfQ70ukH
Name 3-(iodomethyl)-1-[(4-methylphenyl)sulfonyl]-1H,2H,3H-pyrido[1,2,3-de]quinoxalin-4-ium iodide
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/C19H18IN2O2S.HI/c1-14-7-9-17(10-8-14)25(23,24)22-13-16(12-20)21-11-3-5-15-4-2-6-18(22)19(15)21;/h2-11,16H,12-13H2,1H3;1H/q+1;/p-1
InChIKey MKFJWCNPQWWSBE-UHFFFAOYSA-M
NMR Offset 18.0068
NMR Spectrometer Frequency 500.134
Observed nucleus 1H
Origin 1H_ASIOH_7529_3126
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/9322703; Labnumber: KDG-0000001