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(4E)-4-[(cyclopentylamino)methylene]-2-phenyl-5-{[(1-phenyl-1H-tetraazol-5-yl)sulfanyl]methyl}-2,4-dihydro-3H-pyrazol-3-one

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(4E)-4-[(cyclopentylamino)methylene]-2-phenyl-5-{[(1-phenyl-1H-tetraazol-5-yl)sulfanyl]methyl}-2,4-dihydro-3H-pyrazol-3-one
SpectraBase Compound ID 1HpHmsZMgso
InChI InChI=1S/C23H23N7OS/c31-22-20(15-24-17-9-7-8-10-17)21(26-29(22)18-11-3-1-4-12-18)16-32-23-25-27-28-30(23)19-13-5-2-6-14-19/h1-6,11-15,17,24H,7-10,16H2/b20-15+
InChIKey RNKGAYRYDLTNAP-HMMYKYKNSA-N
Mol Weight 445.55 g/mol
Molecular Formula C23H23N7OS
Exact Mass 445.16848 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 1SzaS9Xy3nf
Name (4E)-4-[(cyclopentylamino)methylene]-2-phenyl-5-{[(1-phenyl-1H-tetraazol-5-yl)sulfanyl]methyl}-2,4-dihydro-3H-pyrazol-3-one
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/C23H23N7OS/c31-22-20(15-24-17-9-7-8-10-17)21(26-29(22)18-11-3-1-4-12-18)16-32-23-25-27-28-30(23)19-13-5-2-6-14-19/h1-6,11-15,17,24H,7-10,16H2/b20-15+
InChIKey RNKGAYRYDLTNAP-HMMYKYKNSA-N
NMR Offset 15.328
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_SBI_36227_13824
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: D91321; Labnumber: VGU-30859; SBI_ID: SBI-013827
Synonyms 4-[(cyclopentylamino)methylene]-2-phenyl-5-{[(1-phenyl-1H-tetraazol-5-yl)sulfanyl]methyl}-2,4-dihydro-3H-pyrazol-3-one
Temperature 318 °C