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2-({[2-(4-hexanoyl-1-piperazinyl)ethyl]amino}methylene)-5-(2-thienyl)-1,3-cyclohexanedione
SpectraBase Compound ID HCwYQNEmaR5
InChI InChI=1S/C23H33N3O3S/c1-2-3-4-7-23(29)26-12-10-25(11-13-26)9-8-24-17-19-20(27)15-18(16-21(19)28)22-6-5-14-30-22/h5-6,14,17-18,24H,2-4,7-13,15-16H2,1H3/b19-17-
InChIKey NSOTUSUBAQRPOI-ZPHPHTNESA-N
Mol Weight 431.6 g/mol
Molecular Formula C23H33N3O3S
Exact Mass 431.224263 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID Fz6DM8znfT4
Name 2-({[2-(4-hexanoyl-1-piperazinyl)ethyl]amino}methylene)-5-(2-thienyl)-1,3-cyclohexanedione
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/C23H33N3O3S/c1-2-3-4-7-23(29)26-12-10-25(11-13-26)9-8-24-17-19-20(27)15-18(16-21(19)28)22-6-5-14-30-22/h5-6,14,17-18,24H,2-4,7-13,15-16H2,1H3/b19-17-
InChIKey NSOTUSUBAQRPOI-ZPHPHTNESA-N
NMR Offset 15.328
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_SBI_36227_11627
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: E09129; Labnumber: VGU-0022650; SBI_ID: SBI-011630
Temperature 318 °C