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(5Z)-1-[2-(1-cyclohexen-1-yl)ethyl]-5-{[(2-phenylethyl)amino]methylene}-2-thioxodihydro-4,6(1H,5H)-pyrimidinedione
SpectraBase Compound ID IC3VcUFwE0U
InChI InChI=1S/C21H25N3O2S/c25-19-18(15-22-13-11-16-7-3-1-4-8-16)20(26)24(21(27)23-19)14-12-17-9-5-2-6-10-17/h1,3-4,7-9,15,22H,2,5-6,10-14H2,(H,23,25,27)/b18-15-
InChIKey MBEOHGAYYWKBHJ-SDXDJHTJSA-N
Mol Weight 383.51 g/mol
Molecular Formula C21H25N3O2S
Exact Mass 383.166748 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID J8UX4ORgfhH
Name (5Z)-1-[2-(1-cyclohexen-1-yl)ethyl]-5-{[(2-phenylethyl)amino]methylene}-2-thioxodihydro-4,6(1H,5H)-pyrimidinedione
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/C21H25N3O2S/c25-19-18(15-22-13-11-16-7-3-1-4-8-16)20(26)24(21(27)23-19)14-12-17-9-5-2-6-10-17/h1,3-4,7-9,15,22H,2,5-6,10-14H2,(H,23,25,27)/b18-15-
InChIKey MBEOHGAYYWKBHJ-SDXDJHTJSA-N
NMR Offset 15.5012
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_SBI_36227_27578
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: D77181; Labnumber: KKA-0212C-0564; SBI_ID: SBI-027582
Synonyms 1-[2-(1-cyclohexen-1-yl)ethyl]-5-{[(2-phenylethyl)amino]methylene}-2-thioxodihydro-4,6(1H,5H)-pyrimidinedione
Temperature 315 °C