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3-{[(E)-(2-chlorophenyl)methylidene]amino}-7-methoxy-3,5-dihydro-4H-pyrimido[5,4-b]indol-4-one
SpectraBase Compound ID 1fI8sT64gEN
InChI InChI=1S/C18H13ClN4O2/c1-25-12-6-7-13-15(8-12)22-17-16(13)20-10-23(18(17)24)21-9-11-4-2-3-5-14(11)19/h2-10,22H,1H3/b21-9+
InChIKey ZKSNUMPZRAIIIR-ZVBGSRNCSA-N
Mol Weight 352.78 g/mol
Molecular Formula C18H13ClN4O2
Exact Mass 352.072703 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID Cb09G4Hnh85
Name 3-{[(E)-(2-chlorophenyl)methylidene]amino}-7-methoxy-3,5-dihydro-4H-pyrimido[5,4-b]indol-4-one
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/C18H13ClN4O2/c1-25-12-6-7-13-15(8-12)22-17-16(13)20-10-23(18(17)24)21-9-11-4-2-3-5-14(11)19/h2-10,22H,1H3/b21-9+
InChIKey ZKSNUMPZRAIIIR-ZVBGSRNCSA-N
NMR Offset 15.5012
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_SBI_36227_19486
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: D13806; Labnumber: SIMAK-01325; SBI_ID: SBI-019489
Synonyms 3-{[(2-chlorophenyl)methylidene]amino}-7-methoxy-3,5-dihydro-4H-pyrimido[5,4-b]indol-4-one
Temperature 315 °C