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3-({4-[(E)-(2,5-dioxo-4-imidazolidinylidene)methyl]phenoxy}methyl)benzoic acid
SpectraBase Compound ID 3yoA85BJIyK
InChI InChI=1S/C18H14N2O5/c21-16-15(19-18(24)20-16)9-11-4-6-14(7-5-11)25-10-12-2-1-3-13(8-12)17(22)23/h1-9H,10H2,(H,22,23)(H2,19,20,21,24)/b15-9+
InChIKey OMKQBSQSTRZMCG-OQLLNIDSSA-N
Mol Weight 338.32 g/mol
Molecular Formula C18H14N2O5
Exact Mass 338.090272 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID HLtgILeAH5P
Name 3-({4-[(E)-(2,5-dioxo-4-imidazolidinylidene)methyl]phenoxy}methyl)benzoic 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/C18H14N2O5/c21-16-15(19-18(24)20-16)9-11-4-6-14(7-5-11)25-10-12-2-1-3-13(8-12)17(22)23/h1-9H,10H2,(H,22,23)(H2,19,20,21,24)/b15-9+
InChIKey OMKQBSQSTRZMCG-OQLLNIDSSA-N
NMR Offset 15.328
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_SBI_36227_22820
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: D35852; Labnumber: SPDEM4-15786; SBI_ID: SBI-022824
Synonyms 3-({4-[(2,5-dioxo-4-imidazolidinylidene)methyl]phenoxy}methyl)benzoic acid
Temperature 318 °C