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(5Z)-1-[2-(1-cyclohexen-1-yl)ethyl]-5-{[(1-phenylethyl)amino]methylene}-2-thioxodihydro-4,6(1H,5H)-pyrimidinedione
SpectraBase Compound ID 1XstDkrgaw0
InChI InChI=1S/C21H25N3O2S/c1-15(17-10-6-3-7-11-17)22-14-18-19(25)23-21(27)24(20(18)26)13-12-16-8-4-2-5-9-16/h3,6-8,10-11,14-15,22H,2,4-5,9,12-13H2,1H3,(H,23,25,27)/b18-14-
InChIKey JCMLTNOVOJIXNP-JXAWBTAJSA-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 COqJHmM9il7
Name (5Z)-1-[2-(1-cyclohexen-1-yl)ethyl]-5-{[(1-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/c1-15(17-10-6-3-7-11-17)22-14-18-19(25)23-21(27)24(20(18)26)13-12-16-8-4-2-5-9-16/h3,6-8,10-11,14-15,22H,2,4-5,9,12-13H2,1H3,(H,23,25,27)/b18-14-
InChIKey JCMLTNOVOJIXNP-JXAWBTAJSA-N
NMR Offset 15.5012
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_SBI_36227_27579
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: D77183; Labnumber: KKA-0212C-0566; SBI_ID: SBI-027583
Synonyms 1-[2-(1-cyclohexen-1-yl)ethyl]-5-{[(1-phenylethyl)amino]methylene}-2-thioxodihydro-4,6(1H,5H)-pyrimidinedione
Temperature 315 °C