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3-(2-methylphenyl)-6-(4-nitrophenyl)-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine
SpectraBase Compound ID 5pAA8NqZhOE
InChI InChI=1S/C17H13N5O2S/c1-11-4-2-3-5-14(11)16-18-19-17-21(16)20-15(10-25-17)12-6-8-13(9-7-12)22(23)24/h2-9H,10H2,1H3
InChIKey RZZWYDFTFPFLCW-UHFFFAOYSA-N
Mol Weight 351.38 g/mol
Molecular Formula C17H13N5O2S
Exact Mass 351.078996 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 2KvR4audB5Y
Name 3-(2-methylphenyl)-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/C17H13N5O2S/c1-11-4-2-3-5-14(11)16-18-19-17-21(16)20-15(10-25-17)12-6-8-13(9-7-12)22(23)24/h2-9H,10H2,1H3
InChIKey RZZWYDFTFPFLCW-UHFFFAOYSA-N
NMR Offset 15.328
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_SBI_36227_25806
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: D61981; Labnumber: UDSG-00939; SBI_ID: SBI-025810
Temperature 318 °C