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3-hydroxy-3-(3-nitrophenyl)-1-phenyl-2,3,6,7-tetrahydro-5H-imidazo[2,1-b][1,3]thiazin-1-ium bromide
SpectraBase Compound ID F8RUCzUMTsI
InChI InChI=1S/C18H18N3O3S.BrH/c22-18(14-6-4-9-16(12-14)21(23)24)13-19(15-7-2-1-3-8-15)17-20(18)10-5-11-25-17;/h1-4,6-9,12,22H,5,10-11,13H2;1H/q+1;/p-1
InChIKey JPOQAMDGTIZFQM-UHFFFAOYSA-M
Mol Weight 436.32 g/mol
Molecular Formula C18H18BrN3O3S
Exact Mass 435.025226 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 8YkJ1j0gZBG
Name 3-hydroxy-3-(3-nitrophenyl)-1-phenyl-2,3,6,7-tetrahydro-5H-imidazo[2,1-b][1,3]thiazin-1-ium 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/C18H18N3O3S.BrH/c22-18(14-6-4-9-16(12-14)21(23)24)13-19(15-7-2-1-3-8-15)17-20(18)10-5-11-25-17;/h1-4,6-9,12,22H,5,10-11,13H2;1H/q+1;/p-1
InChIKey JPOQAMDGTIZFQM-UHFFFAOYSA-M
NMR Offset 15.3537
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_UBI-VK_18310_5945
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: 121852; Labnumber: EX00112239; VK_ID: VK-005948
Temperature 308 °C