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ethyl 4-{5-[(E)-(1-(1,3-benzodioxol-5-yl)-2,4,6-trioxotetrahydro-5(2H)-pyrimidinylidene)methyl]-2-furyl}benzoate
SpectraBase Compound ID IHLVtFf6Ka0
InChI InChI=1S/C25H18N2O8/c1-2-32-24(30)15-5-3-14(4-6-15)19-10-8-17(35-19)12-18-22(28)26-25(31)27(23(18)29)16-7-9-20-21(11-16)34-13-33-20/h3-12H,2,13H2,1H3,(H,26,28,31)/b18-12+
InChIKey GIOMCBIWAUOTJF-LDADJPATSA-N
Mol Weight 474.43 g/mol
Molecular Formula C25H18N2O8
Exact Mass 474.106316 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID Fd59o6wAG5x
Name ethyl 4-{5-[(E)-(1-(1,3-benzodioxol-5-yl)-2,4,6-trioxotetrahydro-5(2H)-pyrimidinylidene)methyl]-2-furyl}benzoate
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/C25H18N2O8/c1-2-32-24(30)15-5-3-14(4-6-15)19-10-8-17(35-19)12-18-22(28)26-25(31)27(23(18)29)16-7-9-20-21(11-16)34-13-33-20/h3-12H,2,13H2,1H3,(H,26,28,31)/b18-12+
InChIKey GIOMCBIWAUOTJF-LDADJPATSA-N
NMR Offset 15.5012
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_UBI_21270_10063
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: 1002641; UBI_ID: UBI-010066
Synonyms ethyl 4-{5-[(1-(1,3-benzodioxol-5-yl)-2,4,6-trioxotetrahydro-5(2H)-pyrimidinylidene)methyl]-2-furyl}benzoate
Temperature 315 °C