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1-benzhydryl-3-nitro-5-(phenylsulfanyl)-1H-1,2,4-triazole

View entire compound with spectra: 1 NMR

1-benzhydryl-3-nitro-5-(phenylsulfanyl)-1H-1,2,4-triazole
SpectraBase Compound ID 4V7kuKgQCNE
InChI InChI=1S/C21H16N4O2S/c26-25(27)20-22-21(28-18-14-8-3-9-15-18)24(23-20)19(16-10-4-1-5-11-16)17-12-6-2-7-13-17/h1-15,19H
InChIKey HUCJDDWCEDSMFX-UHFFFAOYSA-N
Mol Weight 388.45 g/mol
Molecular Formula C21H16N4O2S
Exact Mass 388.099397 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 8Qk1z1Rl4ei
Name 1-benzhydryl-3-nitro-5-(phenylsulfanyl)-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/C21H16N4O2S/c26-25(27)20-22-21(28-18-14-8-3-9-15-18)24(23-20)19(16-10-4-1-5-11-16)17-12-6-2-7-13-17/h1-15,19H
InChIKey HUCJDDWCEDSMFX-UHFFFAOYSA-N
NMR Offset 18.0059
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_SBI_36227_6504
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: D14991; Labnumber: TOLST-0261; SBI_ID: SBI-006507
Synonyms 1-benzhydryl-3-nitro-1H-1,2,4-triazol-5-yl phenyl sulfide
Temperature 306 °C