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3-{[(E)-(2-fluorophenyl)methylidene]amino}-9-methoxy-1H-pyrimido[5,4-b]indole-2,4(3H,5H)-dione
SpectraBase Compound ID BbuhluM53nF
InChI InChI=1S/C18H13FN4O3/c1-26-13-8-4-7-12-14(13)15-16(21-12)17(24)23(18(25)22-15)20-9-10-5-2-3-6-11(10)19/h2-9,21H,1H3,(H,22,25)/b20-9+
InChIKey LSVWDLWQGGCHNR-AWQFTUOYSA-N
Mol Weight 352.33 g/mol
Molecular Formula C18H13FN4O3
Exact Mass 352.097168 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID FdXpcdxlWTT
Name 3-{[(E)-(2-fluorophenyl)methylidene]amino}-9-methoxy-1H-pyrimido[5,4-b]indole-2,4(3H,5H)-dione
Author A.V.Yarkov, IPAC, Russia
Copyright Copyright © 2016-2025 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright © 2016-2025 John Wiley & Sons, Inc. All Rights Reserved.
InChI InChI=1S/C18H13FN4O3/c1-26-13-8-4-7-12-14(13)15-16(21-12)17(24)23(18(25)22-15)20-9-10-5-2-3-6-11(10)19/h2-9,21H,1H3,(H,22,25)/b20-9+
InChIKey LSVWDLWQGGCHNR-AWQFTUOYSA-N
NMR Offset 15.449
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_SBI_36227_18220
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: D32074; Labnumber: SIMAK-01541; SBI_ID: SBI-018223
Synonyms 3-{[(2-fluorophenyl)methylidene]amino}-9-methoxy-1H-pyrimido[5,4-b]indole-2,4(3H,5H)-dione
Temperature 308 °C