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

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1-benzhydryl-5-(dodecylsulfanyl)-3-nitro-1H-1,2,4-triazole
SpectraBase Compound ID Gr8HJPoUzUY
InChI InChI=1S/C27H36N4O2S/c1-2-3-4-5-6-7-8-9-10-17-22-34-27-28-26(31(32)33)29-30(27)25(23-18-13-11-14-19-23)24-20-15-12-16-21-24/h11-16,18-21,25H,2-10,17,22H2,1H3
InChIKey VGVHOXFGBPFLFL-UHFFFAOYSA-N
Mol Weight 480.7 g/mol
Molecular Formula C27H36N4O2S
Exact Mass 480.255898 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID FheEJFilEpf
Name 1-benzhydryl-5-(dodecylsulfanyl)-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/C27H36N4O2S/c1-2-3-4-5-6-7-8-9-10-17-22-34-27-28-26(31(32)33)29-30(27)25(23-18-13-11-14-19-23)24-20-15-12-16-21-24/h11-16,18-21,25H,2-10,17,22H2,1H3
InChIKey VGVHOXFGBPFLFL-UHFFFAOYSA-N
NMR Offset 18.0068
NMR Spectrometer Frequency 500.134
Observed nucleus 1H
Origin 1H_ASIOH_7000_5948
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: NMR/11241410; Labnumber: LP-3103270; IOH_ID: IOH-005949
Synonyms 1-benzhydryl-3-nitro-1H-1,2,4-triazol-5-yl dodecyl sulfide