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1-methyl-4-{4-nitro-3-[(1-phenyl-1H-tetraazol-5-yl)sulfanyl]phenyl}piperazine
SpectraBase Compound ID 2JRdCShlwYk
InChI InChI=1S/C18H19N7O2S/c1-22-9-11-23(12-10-22)15-7-8-16(25(26)27)17(13-15)28-18-19-20-21-24(18)14-5-3-2-4-6-14/h2-8,13H,9-12H2,1H3
InChIKey CAGOJVNHQJLVOK-UHFFFAOYSA-N
Mol Weight 397.46 g/mol
Molecular Formula C18H19N7O2S
Exact Mass 397.132094 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 4s5wvEPQhX5
Name 1-methyl-4-{4-nitro-3-[(1-phenyl-1H-tetraazol-5-yl)sulfanyl]phenyl}piperazine
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/C18H19N7O2S/c1-22-9-11-23(12-10-22)15-7-8-16(25(26)27)17(13-15)28-18-19-20-21-24(18)14-5-3-2-4-6-14/h2-8,13H,9-12H2,1H3
InChIKey CAGOJVNHQJLVOK-UHFFFAOYSA-N
NMR Offset 18.0068
NMR Spectrometer Frequency 500.134
Observed nucleus 1H
Origin 1H_ASIOH_7000_6269
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/11242659; Labnumber: LP-2501913; IOH_ID: IOH-006270
Synonyms 5-(4-methyl-1-piperazinyl)-2-nitrophenyl 1-phenyl-1H-tetraazol-5-yl sulfide