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3-{[(E)-(2,3-dihydroxyphenyl)methylidene]amino}-7-methoxy-1H-pyrimido[5,4-b]indole-2,4(3H,5H)-dione
SpectraBase Compound ID KXb2PfBWM3j
InChI InChI=1S/C18H14N4O5/c1-27-10-5-6-11-12(7-10)20-15-14(11)21-18(26)22(17(15)25)19-8-9-3-2-4-13(23)16(9)24/h2-8,20,23-24H,1H3,(H,21,26)/b19-8+
InChIKey DLHQYFLHDLWVIY-UFWORHAWSA-N
Mol Weight 366.33 g/mol
Molecular Formula C18H14N4O5
Exact Mass 366.09642 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 6WhB4edVdgM
Name 3-{[(E)-(2,3-dihydroxyphenyl)methylidene]amino}-7-methoxy-1H-pyrimido[5,4-b]indole-2,4(3H,5H)-dione
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/C18H14N4O5/c1-27-10-5-6-11-12(7-10)20-15-14(11)21-18(26)22(17(15)25)19-8-9-3-2-4-13(23)16(9)24/h2-8,20,23-24H,1H3,(H,21,26)/b19-8+
InChIKey DLHQYFLHDLWVIY-UFWORHAWSA-N
NMR Offset 15.449
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_SBI_36227_18199
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: D32026; Labnumber: SIMAK-01493; SBI_ID: SBI-018202
Synonyms 3-{[(2,3-dihydroxyphenyl)methylidene]amino}-7-methoxy-1H-pyrimido[5,4-b]indole-2,4(3H,5H)-dione
Temperature 308 °C