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11-{[(E)-(1-(4-fluorophenyl)-2,4,6-trioxotetrahydro-5(2H)-pyrimidinylidene)methyl]amino}undecanoic acid
SpectraBase Compound ID HUr0yjlbgF8
InChI InChI=1S/C22H28FN3O5/c23-16-10-12-17(13-11-16)26-21(30)18(20(29)25-22(26)31)15-24-14-8-6-4-2-1-3-5-7-9-19(27)28/h10-13,15,24H,1-9,14H2,(H,27,28)(H,25,29,31)/b18-15+
InChIKey HVWORGHCDZXKAQ-OBGWFSINSA-N
Mol Weight 433.48 g/mol
Molecular Formula C22H28FN3O5
Exact Mass 433.201299 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 1XGbKtv9VtS
Name 11-{[(E)-(1-(4-fluorophenyl)-2,4,6-trioxotetrahydro-5(2H)-pyrimidinylidene)methyl]amino}undecanoic acid
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/C22H28FN3O5/c23-16-10-12-17(13-11-16)26-21(30)18(20(29)25-22(26)31)15-24-14-8-6-4-2-1-3-5-7-9-19(27)28/h10-13,15,24H,1-9,14H2,(H,27,28)(H,25,29,31)/b18-15+
InChIKey HVWORGHCDZXKAQ-OBGWFSINSA-N
NMR Offset 15.449
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_SBI_36227_23833
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: D43736; Labnumber: KVEX-40026; SBI_ID: SBI-023837
Synonyms 11-{[(1-(4-fluorophenyl)-2,4,6-trioxotetrahydro-5(2H)-pyrimidinylidene)methyl]amino}undecanoic acid
Temperature 308 °C