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N-(2-carboxyethyl)-4-methoxy-7,7-dimethyl-7,8-dihydro-6H-pyrimido[4,5-b][1,4]benzothiazin-9-aminium bromide
SpectraBase Compound ID E64olppVDUN
InChI InChI=1S/C16H20N4O3S.BrH/c1-16(2)6-9(17-5-4-11(21)22)13-10(7-16)20-12-14(23-3)18-8-19-15(12)24-13;/h8,17H,4-7H2,1-3H3,(H,21,22);1H
InChIKey FNUXFOGPULIBJR-UHFFFAOYSA-N
Mol Weight 429.33 g/mol
Molecular Formula C16H21BrN4O3S
Exact Mass 428.051775 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 7aIRsw0HBWf
Name N-(2-carboxyethyl)-4-methoxy-7,7-dimethyl-7,8-dihydro-6H-pyrimido[4,5-b][1,4]benzothiazin-9-aminium 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/C16H20N4O3S.BrH/c1-16(2)6-9(17-5-4-11(21)22)13-10(7-16)20-12-14(23-3)18-8-19-15(12)24-13;/h8,17H,4-7H2,1-3H3,(H,21,22);1H
InChIKey FNUXFOGPULIBJR-UHFFFAOYSA-N
NMR Offset 14.9921
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_UBI-VK_18310_2280
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: S13953RM18N010-059; Labnumber: S13953RM18N010-059; VK_ID: VK-002281
Temperature 313 °C