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3-(2,4-dichlorophenyl)-6-(4-nitrophenyl)-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine
SpectraBase Compound ID LGsf7eri9i2
InChI InChI=1S/C16H9Cl2N5O2S/c17-10-3-6-12(13(18)7-10)15-19-20-16-22(15)21-14(8-26-16)9-1-4-11(5-2-9)23(24)25/h1-7H,8H2
InChIKey JFBKEDBDHFONRZ-UHFFFAOYSA-N
Mol Weight 406.25 g/mol
Molecular Formula C16H9Cl2N5O2S
Exact Mass 404.985401 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 3vqJkbJAiHC
Name 3-(2,4-dichlorophenyl)-6-(4-nitrophenyl)-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine
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/C16H9Cl2N5O2S/c17-10-3-6-12(13(18)7-10)15-19-20-16-22(15)21-14(8-26-16)9-1-4-11(5-2-9)23(24)25/h1-7H,8H2
InChIKey JFBKEDBDHFONRZ-UHFFFAOYSA-N
NMR Offset 15.449
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_SBI_36227_26153
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: D62035; Labnumber: UDSG-01275; SBI_ID: SBI-026157
Temperature 308 °C