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3-butyl-6-(4-nitrophenyl)-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine hydrobromide
SpectraBase Compound ID 82tiX512lVH
InChI InChI=1S/C14H15N5O2S.BrH/c1-2-3-4-13-15-16-14-18(13)17-12(9-22-14)10-5-7-11(8-6-10)19(20)21;/h5-8H,2-4,9H2,1H3;1H
InChIKey XSNOZFZKNYUGES-UHFFFAOYSA-N
Mol Weight 398.28 g/mol
Molecular Formula C14H16BrN5O2S
Exact Mass 397.020809 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 1PQhBbFTS2W
Name 3-butyl-6-(4-nitrophenyl)-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine hydrobromide
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/C14H15N5O2S.BrH/c1-2-3-4-13-15-16-14-18(13)17-12(9-22-14)10-5-7-11(8-6-10)19(20)21;/h5-8H,2-4,9H2,1H3;1H
InChIKey XSNOZFZKNYUGES-UHFFFAOYSA-N
NMR Offset 18.0068
NMR Spectrometer Frequency 500.134
Observed nucleus 1H
Origin 1H_ASIOH_7000_5678
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: NMR/11221754; Labnumber: 0718; IOH_ID: IOH-005679