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(2E)-4-[(1,3-dimethyl-2,4-dioxo-1,2,3,4-tetrahydrobenzo[g]pteridin-8-yl)amino]-4-oxo-2-butenoic acid
SpectraBase Compound ID DZgiPay0FWG
InChI InChI=1S/C16H13N5O5/c1-20-14-13(15(25)21(2)16(20)26)18-9-4-3-8(7-10(9)19-14)17-11(22)5-6-12(23)24/h3-7H,1-2H3,(H,17,22)(H,23,24)/b6-5+
InChIKey JVCQIJODMUKXHI-AATRIKPKSA-N
Mol Weight 355.31 g/mol
Molecular Formula C16H13N5O5
Exact Mass 355.091669 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID IEYfxVYBxQA
Name (2E)-4-[(1,3-dimethyl-2,4-dioxo-1,2,3,4-tetrahydrobenzo[g]pteridin-8-yl)amino]-4-oxo-2-butenoic 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/C16H13N5O5/c1-20-14-13(15(25)21(2)16(20)26)18-9-4-3-8(7-10(9)19-14)17-11(22)5-6-12(23)24/h3-7H,1-2H3,(H,17,22)(H,23,24)/b6-5+
InChIKey JVCQIJODMUKXHI-AATRIKPKSA-N
NMR Offset 15.5012
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_SBI_36227_7118
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: Z08223; Labnumber: KV-176; SBI_ID: SBI-007121
Synonyms 4-[(1,3-dimethyl-2,4-dioxo-1,2,3,4-tetrahydrobenzo[g]pteridin-8-yl)amino]-4-oxo-2-butenoic acid
Temperature 315 °C