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acetic acid, [(2,3,4,5-tetrahydro-3,5-dioxo-1,2,4-triazin-6-yl)thio]-, 4-bromo-2-chloro-6-methylphenyl ester
SpectraBase Compound ID BexGQDGbD10
InChI InChI=1S/C12H9BrClN3O4S/c1-5-2-6(13)3-7(14)9(5)21-8(18)4-22-11-10(19)15-12(20)17-16-11/h2-3H,4H2,1H3,(H2,15,17,19,20)
InChIKey CCJFSCOAWUHRDA-UHFFFAOYSA-N
Mol Weight 406.64 g/mol
Molecular Formula C12H9BrClN3O4S
Exact Mass 404.918568 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID EsxARveJCbX
Name acetic acid, [(2,3,4,5-tetrahydro-3,5-dioxo-1,2,4-triazin-6-yl)thio]-, 4-bromo-2-chloro-6-methylphenyl ester
Copyright Copyright © 2022-2024 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright © 2022-2024 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 404.918567652 u
Formula C12H9BrClN3O4S
InChI InChI=1S/C12H9BrClN3O4S/c1-5-2-6(13)3-7(14)9(5)21-8(18)4-22-11-10(19)15-12(20)17-16-11/h2-3H,4H2,1H3,(H2,15,17,19,20)
InChIKey CCJFSCOAWUHRDA-UHFFFAOYSA-N
Molecular Weight 406.638 g/mol
NMR Offset 18.0068
NMR Spectrometer Frequency 500.134
Observed nucleus 1H
Sample State Soluted
Sample_ID 1H_CB_2021_9047
Solvent DMSO-d6
Source Vendor ID: NMR/14228228