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(5E)-1-[2-(1-cyclohexen-1-yl)ethyl]-5-(1H-indol-3-ylmethylene)-2,4,6(1H,3H,5H)-pyrimidinetrione
SpectraBase Compound ID AdzQ6rr9YjQ
InChI InChI=1S/C21H21N3O3/c25-19-17(12-15-13-22-18-9-5-4-8-16(15)18)20(26)24(21(27)23-19)11-10-14-6-2-1-3-7-14/h4-6,8-9,12-13,22H,1-3,7,10-11H2,(H,23,25,27)/b17-12+
InChIKey OOOCKRASDPCXDI-SFQUDFHCSA-N
Mol Weight 363.42 g/mol
Molecular Formula C21H21N3O3
Exact Mass 363.158292 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID HhLA8h33gdU
Name (5E)-1-[2-(1-cyclohexen-1-yl)ethyl]-5-(1H-indol-3-ylmethylene)-2,4,6(1H,3H,5H)-pyrimidinetrione
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/C21H21N3O3/c25-19-17(12-15-13-22-18-9-5-4-8-16(15)18)20(26)24(21(27)23-19)11-10-14-6-2-1-3-7-14/h4-6,8-9,12-13,22H,1-3,7,10-11H2,(H,23,25,27)/b17-12+
InChIKey OOOCKRASDPCXDI-SFQUDFHCSA-N
NMR Offset 15.3537
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_UBI-VK_18310_7090
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: 124035; Labnumber: KKA001-0001445; VK_ID: VK-007094
Synonyms 1-[2-(1-cyclohexen-1-yl)ethyl]-5-(1H-indol-3-ylmethylene)-2,4,6(1H,3H,5H)-pyrimidinetrione
Temperature 308 °C