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3-{[(E)-(2-fluorophenyl)methylidene]amino}-7,8-dimethoxy-1H-pyrimido[5,4-b]indole-2,4(3H,5H)-dione
SpectraBase Compound ID 5Ma0fjHqUFC
InChI InChI=1S/C19H15FN4O4/c1-27-14-7-11-13(8-15(14)28-2)22-17-16(11)23-19(26)24(18(17)25)21-9-10-5-3-4-6-12(10)20/h3-9,22H,1-2H3,(H,23,26)/b21-9+
InChIKey PVMIMPOIBUHLAK-ZVBGSRNCSA-N
Mol Weight 382.35 g/mol
Molecular Formula C19H15FN4O4
Exact Mass 382.107733 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 9S3L0a7kslS
Name 3-{[(E)-(2-fluorophenyl)methylidene]amino}-7,8-dimethoxy-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/C19H15FN4O4/c1-27-14-7-11-13(8-15(14)28-2)22-17-16(11)23-19(26)24(18(17)25)21-9-10-5-3-4-6-12(10)20/h3-9,22H,1-2H3,(H,23,26)/b21-9+
InChIKey PVMIMPOIBUHLAK-ZVBGSRNCSA-N
NMR Offset 15.5012
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_UBI-VK_18310_8435
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: 127959; Labnumber: SIMAK-00028; VK_ID: VK-008439
Synonyms 3-{[(2-fluorophenyl)methylidene]amino}-7,8-dimethoxy-1H-pyrimido[5,4-b]indole-2,4(3H,5H)-dione
Temperature 315 °C