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N-[(1,3-dimethyl-2,4,6-trioxotetrahydro-5(2H)-pyrimidinylidene)methyl]-4-hydroxy-3,5-diiodophenylalanine
SpectraBase Compound ID A5WcqopfjX7
InChI InChI=1S/C16H15I2N3O6/c1-20-13(23)8(14(24)21(2)16(20)27)6-19-11(15(25)26)5-7-3-9(17)12(22)10(18)4-7/h3-4,6,11,19,22H,5H2,1-2H3,(H,25,26)
InChIKey MOLLPFCWGCWKHC-UHFFFAOYSA-N
Mol Weight 599.12 g/mol
Molecular Formula C16H15I2N3O6
Exact Mass 598.905025 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID gli4SuBmW1
Name N-[(1,3-dimethyl-2,4,6-trioxotetrahydro-5(2H)-pyrimidinylidene)methyl]-4-hydroxy-3,5-diiodophenylalanine
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/C16H15I2N3O6/c1-20-13(23)8(14(24)21(2)16(20)27)6-19-11(15(25)26)5-7-3-9(17)12(22)10(18)4-7/h3-4,6,11,19,22H,5H2,1-2H3,(H,25,26)
InChIKey MOLLPFCWGCWKHC-UHFFFAOYSA-N
NMR Offset 15.449
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_SBI_36227_23832
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: D43735; Labnumber: KVEX-40025; SBI_ID: SBI-023836
Temperature 308 °C