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1-piperazinecarbothioamide, 4-[2-[[(4,4-dimethyl-2,6-dioxocyclohexylidene)methyl]amino]ethyl]-N-(4-fluorophenyl)-
SpectraBase Compound ID 2LGlchzmXeh
InChI InChI=1S/C22H29FN4O2S/c1-22(2)13-19(28)18(20(29)14-22)15-24-7-8-26-9-11-27(12-10-26)21(30)25-17-5-3-16(23)4-6-17/h3-6,15,24H,7-14H2,1-2H3,(H,25,30)
InChIKey NRTYTPNDCLRFKH-UHFFFAOYSA-N
Mol Weight 432.56 g/mol
Molecular Formula C22H29FN4O2S
Exact Mass 432.199526 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID DLEA8Yr3cdt
Name 1-piperazinecarbothioamide, 4-[2-[[(4,4-dimethyl-2,6-dioxocyclohexylidene)methyl]amino]ethyl]-N-(4-fluorophenyl)-
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/C22H29FN4O2S/c1-22(2)13-19(28)18(20(29)14-22)15-24-7-8-26-9-11-27(12-10-26)21(30)25-17-5-3-16(23)4-6-17/h3-6,15,24H,7-14H2,1-2H3,(H,25,30)
InChIKey NRTYTPNDCLRFKH-UHFFFAOYSA-N
NMR Offset 18.0068
NMR Spectrometer Frequency 500.134
Observed nucleus 1H
Origin 1H_CB_3517_1065
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/11228842