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ethyl 3-[(E)-(1-(2-fluorophenyl)-2,4,6-trioxotetrahydro-5(2H)-pyrimidinylidene)methyl]-1H-indole-2-carboxylate
SpectraBase Compound ID Dbgp0cIFbBY
InChI InChI=1S/C22H16FN3O5/c1-2-31-21(29)18-13(12-7-3-5-9-16(12)24-18)11-14-19(27)25-22(30)26(20(14)28)17-10-6-4-8-15(17)23/h3-11,24H,2H2,1H3,(H,25,27,30)/b14-11+
InChIKey RHKHRSNFSMAVQJ-SDNWHVSQSA-N
Mol Weight 421.38 g/mol
Molecular Formula C22H16FN3O5
Exact Mass 421.107399 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 2NslZNjVYcO
Name ethyl 3-[(E)-(1-(2-fluorophenyl)-2,4,6-trioxotetrahydro-5(2H)-pyrimidinylidene)methyl]-1H-indole-2-carboxylate
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/C22H16FN3O5/c1-2-31-21(29)18-13(12-7-3-5-9-16(12)24-18)11-14-19(27)25-22(30)26(20(14)28)17-10-6-4-8-15(17)23/h3-11,24H,2H2,1H3,(H,25,27,30)/b14-11+
InChIKey RHKHRSNFSMAVQJ-SDNWHVSQSA-N
NMR Offset 15.3537
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_UBI-VK_18310_7086
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: 124031; Labnumber: KKA001-0001378; VK_ID: VK-007090
Synonyms ethyl 3-[(1-(2-fluorophenyl)-2,4,6-trioxotetrahydro-5(2H)-pyrimidinylidene)methyl]-1H-indole-2-carboxylate
Temperature 308 °C