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

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1-benzhydryl-5-(1H-imidazol-1-yl)-3-nitro-1H-1,2,4-triazole
SpectraBase Compound ID IjxtKaxUHPz
InChI InChI=1S/C18H14N6O2/c25-24(26)17-20-18(22-12-11-19-13-22)23(21-17)16(14-7-3-1-4-8-14)15-9-5-2-6-10-15/h1-13,16H
InChIKey QXYWSWVSFQETJB-UHFFFAOYSA-N
Mol Weight 346.35 g/mol
Molecular Formula C18H14N6O2
Exact Mass 346.117824 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID C4S34qfotBF
Name 1-benzhydryl-5-(1H-imidazol-1-yl)-3-nitro-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/C18H14N6O2/c25-24(26)17-20-18(22-12-11-19-13-22)23(21-17)16(14-7-3-1-4-8-14)15-9-5-2-6-10-15/h1-13,16H
InChIKey QXYWSWVSFQETJB-UHFFFAOYSA-N
NMR Offset 18.0059
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_SBI_36227_6503
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: D14990; Labnumber: TOLST-0260; SBI_ID: SBI-006506
Temperature 306 °C