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7-hydroxy-6-(3-nitrophenyl)-7-phenyl-2H,3H,4H,7H,8H-pyrimido[2,1-b][1,3]thiazin-5-ium bromide
SpectraBase Compound ID 4v20q65ArWq
InChI InChI=1S/C19H18N3O3S.BrH/c23-19(15-7-2-1-3-8-15)13-20-18-21(10-5-11-26-18)17(19)14-6-4-9-16(12-14)22(24)25;/h1-4,6-9,12,23H,5,10-11,13H2;1H/q+1;/p-1
InChIKey LJLFYOONMSYEJY-UHFFFAOYSA-M
Mol Weight 448.34 g/mol
Molecular Formula C19H18BrN3O3S
Exact Mass 447.025226 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID JhYnA6xqlSz
Name 7-hydroxy-6-(3-nitrophenyl)-7-phenyl-2H,3H,4H,7H,8H-pyrimido[2,1-b][1,3]thiazin-5-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/C19H18N3O3S.BrH/c23-19(15-7-2-1-3-8-15)13-20-18-21(10-5-11-26-18)17(19)14-6-4-9-16(12-14)22(24)25;/h1-4,6-9,12,23H,5,10-11,13H2;1H/q+1;/p-1
InChIKey LJLFYOONMSYEJY-UHFFFAOYSA-M
NMR Offset 15.328
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_UBI-VK_18310_17650
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: 987/00005903; Labnumber: 987/00005903218872; VK_ID: VK-017655
Temperature 318 °C