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1-methyl-3-nitro-5-[(5-phenyl-1H-1,2,4-triazol-3-yl)sulfanyl]-1H-1,2,4-triazole
SpectraBase Compound ID 9cqY7iy0n3S
InChI InChI=1S/C11H9N7O2S/c1-17-11(13-9(16-17)18(19)20)21-10-12-8(14-15-10)7-5-3-2-4-6-7/h2-6H,1H3,(H,12,14,15)
InChIKey KZDUITOJWHUFHU-UHFFFAOYSA-N
Mol Weight 303.3 g/mol
Molecular Formula C11H9N7O2S
Exact Mass 303.053844 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 87nsoni8OhO
Name 1-methyl-3-nitro-5-[(5-phenyl-1H-1,2,4-triazol-3-yl)sulfanyl]-1H-1,2,4-triazole
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/C11H9N7O2S/c1-17-11(13-9(16-17)18(19)20)21-10-12-8(14-15-10)7-5-3-2-4-6-7/h2-6H,1H3,(H,12,14,15)
InChIKey KZDUITOJWHUFHU-UHFFFAOYSA-N
NMR Offset 15.449
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_SBI_36227_22119
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: D58654; Labnumber: SPLUK-1005; SBI_ID: SBI-022123
Synonyms 1-methyl-3-nitro-1H-1,2,4-triazol-5-yl 5-phenyl-1H-1,2,4-triazol-3-yl sulfide
Temperature 308 °C