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N-(1,3-benzothiazol-2-yl)-2-[(8-bromo-5-methyl-5H-[1,2,4]triazino[5,6-b]indol-3-yl)sulfanyl]acetamide
SpectraBase Compound ID 9C5iQbQFucz
InChI InChI=1S/C19H13BrN6OS2/c1-26-13-7-6-10(20)8-11(13)16-17(26)23-19(25-24-16)28-9-15(27)22-18-21-12-4-2-3-5-14(12)29-18/h2-8H,9H2,1H3,(H,21,22,27)
InChIKey RKFLEQHDZZBOMJ-UHFFFAOYSA-N
Mol Weight 485.38 g/mol
Molecular Formula C19H13BrN6OS2
Exact Mass 483.977564 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID ASqvTeTmklZ
Name N-(1,3-benzothiazol-2-yl)-2-[(8-bromo-5-methyl-5H-[1,2,4]triazino[5,6-b]indol-3-yl)sulfanyl]acetamide
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/C19H13BrN6OS2/c1-26-13-7-6-10(20)8-11(13)16-17(26)23-19(25-24-16)28-9-15(27)22-18-21-12-4-2-3-5-14(12)29-18/h2-8H,9H2,1H3,(H,21,22,27)
InChIKey RKFLEQHDZZBOMJ-UHFFFAOYSA-N
NMR Offset 14.9921
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_UBI_21270_12374
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: UZI/9119928; UBI_ID: UBI-012377
Temperature 313 °C